UCSF

ZINC05457978

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 27 No

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) 1.52 6.37 -71.41 1 6 -1 90 363.393 6
Mid Mid (pH 6-8) 1.97 -1.17 -23.99 2 6 0 86 364.401 5

Activity (Go SEA)

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