UCSF

ZINC40829682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 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) 1.23 4.62 -92.08 5 4 2 61 257.422 6
Mid Mid (pH 6-8) 1.23 4.35 -38.75 4 4 1 60 256.414 6

Activity (Go SEA)

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