UCSF

ZINC41209491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 1.17 2.52 -34 2 3 1 29 199.318 2
Hi High (pH 8-9.5) 1.17 1.32 -2.84 1 3 0 24 198.31 2
Mid Mid (pH 6-8) 1.17 4.52 -104.13 3 3 2 30 200.326 2

Activity (Go SEA)

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