UCSF

ZINC42547338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 12 Yes

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) -0.15 0.35 -37.7 3 4 1 46 172.252 3
Hi High (pH 8-9.5) -0.15 -2.25 -8.21 2 4 0 44 171.244 3
Lo Low (pH 4.5-6) -0.15 1.59 -108.81 4 4 2 50 173.26 3

Activity (Go SEA)

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