UCSF

ZINC39952029

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 1.22 3.05 -41.21 3 5 1 55 270.397 5
Mid Mid (pH 6-8) 1.22 1.41 -41.41 3 5 1 58 270.397 5
Mid Mid (pH 6-8) 1.22 4.38 -107.64 4 5 2 59 271.405 5

Activity (Go SEA)

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