UCSF

ZINC50067700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 0.27 6.46 -40.76 1 5 1 51 231.316 8
Hi High (pH 8-9.5) 0.27 4.18 -9.42 0 5 0 50 230.308 8

Activity (Go SEA)

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