UCSF

ZINC31092007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 26 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) 3.12 6.95 -16.39 1 6 0 70 352.39 5
Lo Low (pH 4.5-6) 3.12 7.35 -48.02 2 6 1 71 353.398 5

Activity (Go SEA)

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