UCSF

ZINC41068103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 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) 1.88 0.38 -10.1 3 5 0 84 304.437 5
Lo Low (pH 4.5-6) 1.88 0.23 -54.26 4 5 1 85 305.445 5

Activity (Go SEA)

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