UCSF

ZINC45688622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.52 3.71 -57.23 4 5 1 86 251.306 8
Hi High (pH 8-9.5) 0.52 2.36 -11.63 3 5 0 81 250.298 8

Activity (Go SEA)

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