UCSF

ZINC42466044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.06 3.85 -40.68 3 4 1 57 243.371 5
Mid Mid (pH 6-8) 1.06 3.57 -5.19 2 4 0 56 242.363 5

Activity (Go SEA)

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