UCSF

ZINC42205346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 0.58 3.33 -106.1 4 4 2 50 243.273 8
Mid Mid (pH 6-8) 0.58 0.85 -44.98 3 4 1 49 242.265 8
Mid Mid (pH 6-8) 0.58 1.99 -38.39 3 4 1 46 242.265 8

Activity (Go SEA)

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