UCSF

ZINC34890188

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 8.19 17.24 -26.74 2 5 1 57 477.028 8
Mid Mid (pH 6-8) 8.19 17.48 -17.52 1 5 0 56 476.02 8
Mid Mid (pH 6-8) 8.19 17.3 -37.92 2 5 1 60 477.028 8
Lo Low (pH 4.5-6) 8.19 17.48 -86.27 3 5 2 61 478.036 8

Activity (Go SEA)

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