UCSF

ZINC09088148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 Yes

Popular Name: 9-hydroxy-7-(4-hydroxy-3-methoxy-phenyl)-3-prop-2-ynylsulfanyl-2,4,10-triazabicyclo[4.4.0]deca-2,9,1 9-hydroxy-7-(4-hydroxy-3-methoxy…

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) 1.58 3.74 -13.29 3 7 0 104 357.391 4 ↓
Hi High (pH 8-9.5) 2.21 2.24 -31.08 3 7 0 112 357.391 4 ↓
Mid Mid (pH 6-8) 2.22 -0.91 -49.51 2 7 -1 111 356.383 4 ↓
Lo Low (pH 4.5-6) 1.76 1.01 -13.66 3 7 0 108 357.391 4 ↓

Activity (Go SEA)

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