UCSF

ZINC16212866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 34 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-4-(thiophene-2-carbonyl (5S)-1-(3-dimethylaminopropyl)-3…

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) 3.88 11.85 -87.23 1 7 0 83 486.634 12 ↓
Mid Mid (pH 6-8) 4.32 10.8 -59.57 2 7 1 81 487.642 11 ↓
Mid Mid (pH 6-8) 3.29 11.71 -66.7 1 7 1 77 487.642 12 ↓

Activity (Go SEA)

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