UCSF

ZINC12652863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 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) -0.23 3.64 -48.3 1 7 -1 95 270.272 3
Mid Mid (pH 6-8) -0.42 5.62 -11.69 2 7 0 89 271.28 3

Activity (Go SEA)

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