UCSF

ZINC42768271

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 2.42 4.34 -37.8 3 4 1 65 285.433 5
Hi High (pH 8-9.5) 2.42 4.18 -9.61 2 4 0 63 284.425 5

Activity (Go SEA)

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