UCSF

ZINC42466180

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) 1.35 4.12 -41.54 3 4 1 57 243.371 6
Mid Mid (pH 6-8) 1.35 3.82 -5.24 2 4 0 56 242.363 6

Activity (Go SEA)

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