UCSF

ZINC19855385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 3.63 7.67 -21.65 1 6 0 59 378.476 6
Mid Mid (pH 6-8) 3.63 9.98 -60.1 2 6 1 61 379.484 6
Mid Mid (pH 6-8) 3.63 8.08 -33.8 2 6 1 61 379.484 6
Lo Low (pH 4.5-6) 3.63 10.39 -113.85 3 6 2 62 380.492 6

Activity (Go SEA)

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