UCSF

ZINC71257250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2011 13 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) -0.26 2.28 -44.85 2 3 1 37 183.275 1
Lo Low (pH 4.5-6) -0.26 4.45 -112.81 3 3 2 38 184.283 1

Activity (Go SEA)

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