UCSF

ZINC34613133

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 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) 1.67 13.53 -68 0 6 -1 69 434.491 5
Mid Mid (pH 6-8) 1.67 15.75 -101 1 6 0 70 435.499 5
Mid Mid (pH 6-8) 1.67 11.53 -15.98 1 6 0 66 435.499 5

Activity (Go SEA)

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