UCSF

ZINC44510995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 0.18 4.17 -111.86 4 3 2 42 200.326 7
Mid Mid (pH 6-8) 0.18 2.81 -34.72 3 3 1 38 199.318 7
Mid Mid (pH 6-8) 0.18 2.88 -37.84 3 3 1 38 199.318 7

Activity (Go SEA)

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