UCSF

ZINC09088815

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 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) 5.95 13.03 -6.95 1 2 0 29 328.39 3
Mid Mid (pH 6-8) 5.95 13.22 -27.85 2 2 1 30 329.398 3

Activity (Go SEA)

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