UCSF

ZINC02528507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 1.52 1.83 -48.69 3 3 1 46 206.265 0
Hi High (pH 8-9.5) 1.52 0.46 -7.19 2 3 0 41 205.257 0

Activity (Go SEA)

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