UCSF

ZINC45702833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.38 5.15 -42.02 2 5 1 63 243.327 7
Hi High (pH 8-9.5) 0.38 4.03 -9.96 1 5 0 59 242.319 7

Activity (Go SEA)

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