UCSF

ZINC37324849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 1.84 4.97 -128.88 4 4 2 51 331.254 4
Mid Mid (pH 6-8) 1.84 3.23 -47.56 3 4 1 49 330.246 4
Mid Mid (pH 6-8) 1.84 4.53 -32.29 3 4 1 49 330.246 4

Activity (Go SEA)

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