UCSF

ZINC44624838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -0.32 4.93 -47.4 3 5 0 88 230.308 8
Hi High (pH 8-9.5) -0.32 4.59 -45.23 2 5 -1 86 229.3 8

Activity (Go SEA)

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