UCSF

ZINC34616574

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 3.86 11.36 -32.51 1 2 1 8 293.862 3
Mid Mid (pH 6-8) 3.86 11.6 -27.34 1 2 1 8 293.862 3
Lo Low (pH 4.5-6) 3.86 11.72 -104 2 2 0 9 294.87 3

Activity (Go SEA)

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