UCSF

ZINC24641231

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 27 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) 2.06 6.89 -15.71 1 7 0 75 367.405 5
Mid Mid (pH 6-8) 2.06 7.28 -40.97 2 7 1 76 368.413 5

Activity (Go SEA)

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