UCSF

ZINC37116950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.95 8.01 -48.61 0 6 -1 76 289.311 5
Mid Mid (pH 6-8) 1.95 8.39 -39.02 1 6 0 78 290.319 5

Activity (Go SEA)

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