UCSF

ZINC34670420

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.53 7.7 -10.4 0 4 0 31 363.404 6
Lo Low (pH 4.5-6) 3.53 9.96 -38.67 1 4 1 32 364.412 6

Activity (Go SEA)

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