UCSF

ZINC42448851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.86 5.58 -112.51 3 3 2 34 196.294 4
Mid Mid (pH 6-8) 0.86 3.12 -34.2 2 3 1 33 195.286 4
Mid Mid (pH 6-8) 0.86 4.22 -34.84 2 3 1 30 195.286 4

Activity (Go SEA)

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