UCSF

ZINC69161100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) 0.31 7.52 -56.65 2 10 1 101 341.403 6
Mid Mid (pH 6-8) 0.31 5.3 -14.37 1 10 0 100 340.395 6
Lo Low (pH 4.5-6) 0.31 7.99 -114.11 3 10 2 103 342.411 6

Activity (Go SEA)

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