UCSF

ZINC02960857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 21 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) 2.65 7.96 -22.15 1 4 0 46 283.306 4
Mid Mid (pH 6-8) 2.65 8.39 -39.56 2 4 1 48 284.314 4

Activity (Go SEA)

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