UCSF

ZINC05729600

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 31 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) 7.31 14.8 -9.27 1 3 0 38 406.46 5
Mid Mid (pH 6-8) 7.31 15.2 -33.54 2 3 1 39 407.468 5

Activity (Go SEA)

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