UCSF

ZINC33139769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 33 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) 3.37 9.41 -18.47 1 8 0 79 461.957 5
Mid Mid (pH 6-8) 3.37 11.67 -65.24 2 8 1 80 462.965 5
Lo Low (pH 4.5-6) 3.37 12.11 -132.51 3 8 2 82 463.973 5

Activity (Go SEA)

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