UCSF

ZINC09409250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 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) 4.99 8.37 -12.25 2 5 0 69 426.314 5
Mid Mid (pH 6-8) 4.99 9.14 -50.87 1 5 -1 72 425.306 5

Activity (Go SEA)

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