UCSF

ZINC33964601

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 25 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) 5.00 8.5 -44.57 4 3 1 57 342.503 11
Hi High (pH 8-9.5) 5.00 8.16 -7.1 3 3 0 55 341.495 11

Activity (Go SEA)

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