UCSF

ZINC16082931

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 17 No

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) -0.76 4.04 -8.61 2 6 0 92 233.227 3
Lo Low (pH 4.5-6) -0.76 4.35 -53.46 3 6 1 94 234.235 3
Lo Low (pH 4.5-6) -0.76 4.34 -52.84 3 6 1 94 234.235 3

Activity (Go SEA)

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