UCSF

ZINC56924072

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 24 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) 2.51 8.39 -20.34 1 5 0 58 325.343 4
Mid Mid (pH 6-8) 2.51 8.81 -49.46 2 5 1 59 326.351 4

Activity (Go SEA)

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