UCSF

ZINC34886072

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 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) 5.34 11.52 -11.48 1 4 0 51 332.432 3
Lo Low (pH 4.5-6) 5.34 11.96 -36.51 2 4 1 52 333.44 3

Activity (Go SEA)

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