UCSF

ZINC31776005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 15 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) -0.24 3.93 -6.84 2 3 0 46 204.273 1
Ref Reference (pH 7) -0.24 3.93 -5.39 2 3 0 46 204.273 1
Mid Mid (pH 6-8) -0.24 4.24 -42.74 3 3 1 48 205.281 1
Mid Mid (pH 6-8) -0.24 4.24 -42.67 3 3 1 48 205.281 1

Activity (Go SEA)

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