UCSF

ZINC41212894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 1.47 2.55 -7.86 2 3 0 41 204.273 1
Mid Mid (pH 6-8) 1.47 3.48 -47.92 3 3 1 46 205.281 1

Activity (Go SEA)

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