UCSF

ZINC40233895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.94 6.22 -100.38 4 4 2 52 293.436 2
Mid Mid (pH 6-8) 0.94 5.82 -44.06 3 4 1 51 292.428 2

Activity (Go SEA)

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