UCSF

ZINC04945219

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 30 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) 4.07 15.68 -14.15 0 7 0 66 405.502 4
Mid Mid (pH 6-8) 4.07 16.18 -32.09 1 7 1 67 406.51 4

Activity (Go SEA)

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