UCSF

ZINC37038406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.22 1.65 -48.55 3 4 1 51 214.333 5
Mid Mid (pH 6-8) -0.22 3.85 -107.94 4 4 2 52 215.341 5

Activity (Go SEA)

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