UCSF

ZINC44650245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 0.93 7.73 -96.9 3 4 2 41 283.441 5
Mid Mid (pH 6-8) 0.93 5.84 -42.32 2 4 1 40 282.433 5

Activity (Go SEA)

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