UCSF

ZINC37848152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.63 3.65 -112.66 4 5 2 60 292.464 13
Mid Mid (pH 6-8) 0.63 2.27 -33.7 3 5 1 55 291.456 13

Activity (Go SEA)

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