UCSF

ZINC40308829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 22 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) 4.16 7.96 -12.03 1 3 0 38 294.398 3
Lo Low (pH 4.5-6) 4.16 8.7 -27.75 2 3 1 39 295.406 3

Activity (Go SEA)

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