UCSF

ZINC37824769

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.78 3.1 -45.43 3 5 1 70 252.338 8
Lo Low (pH 4.5-6) -0.78 3.58 -84.25 4 5 2 71 253.346 8

Activity (Go SEA)

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