UCSF

ZINC34669545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 2.13 4.61 -47.96 2 3 1 35 262.251 4
Hi High (pH 8-9.5) 2.13 3.24 -6.8 1 3 0 30 261.243 4

Activity (Go SEA)

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