UCSF

ZINC42472859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.60 4.91 -49.37 3 3 1 44 316.263 4
Mid Mid (pH 6-8) 2.60 6.98 -29.95 3 3 1 44 316.263 4

Activity (Go SEA)

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