UCSF

ZINC22909978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 0.67 3.3 -40.63 2 5 1 46 275.376 4
Mid Mid (pH 6-8) 0.66 3.41 -41.06 2 5 1 46 275.376 4
Mid Mid (pH 6-8) 0.67 1.07 -10.67 1 5 0 45 274.368 4
Mid Mid (pH 6-8) 0.67 1.69 -28.18 2 5 1 46 275.376 4
Lo Low (pH 4.5-6) 0.66 4.03 -81.35 3 5 2 47 276.384 4

Activity (Go SEA)

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