UCSF

ZINC32088505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 1.41 4.38 -114.54 4 4 2 45 330.27 4
Mid Mid (pH 6-8) 1.41 1.89 -44.43 3 4 1 43 329.262 4

Activity (Go SEA)

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