UCSF

ZINC19902740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 26 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) 3.34 6.66 -12.05 1 5 0 52 348.45 4
Mid Mid (pH 6-8) 3.34 6.82 -24.02 2 5 1 54 349.458 4
Lo Low (pH 4.5-6) 3.34 9.07 -77.15 3 5 2 55 350.466 4
Lo Low (pH 4.5-6) 3.34 9.11 -86.83 3 5 2 55 350.466 4

Activity (Go SEA)

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