UCSF

ZINC42420132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) 0.97 5.99 -50.28 2 3 1 34 182.291 6
Mid Mid (pH 6-8) 0.97 6.34 -95.83 3 3 2 36 183.299 6

Activity (Go SEA)

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