UCSF

ZINC20171702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 36 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-[(E)-3-phenylprop-2-enoyl]-5H-pyrrol (5S)-5-(3,4-dimethoxyphenyl)-3-h…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.76 -44.24 0 8 -1 91 491.564 9 ↓
Ref Reference (pH 7) 2.54 8.88 -65.01 0 8 -1 91 491.564 10 ↓
Mid Mid (pH 6-8) 2.54 11.02 -80.18 1 8 0 93 492.572 10 ↓
Mid Mid (pH 6-8) 2.54 11.19 -58 1 8 0 93 492.572 9 ↓
Lo Low (pH 4.5-6) 2.54 10.06 -54.52 2 8 1 90 493.58 10 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )