UCSF

ZINC37824221

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.71 3.3 -90.9 4 4 2 52 213.325 2
Mid Mid (pH 6-8) -0.71 2.9 -36.14 3 4 1 51 212.317 2

Activity (Go SEA)

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