UCSF

ZINC69738645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 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) 0.62 8.32 -37.67 3 8 1 85 336.464 5
Mid Mid (pH 6-8) 0.62 6.11 -8.11 2 8 0 84 335.456 5
Lo Low (pH 4.5-6) 0.62 10.38 -99.76 4 8 2 86 337.472 5

Activity (Go SEA)

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