UCSF

ZINC36358623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 0.87 0.06 -12.08 2 6 0 84 297.314 3
Ref Reference (pH 7) 0.69 2.7 -12.8 2 6 0 80 297.314 3
Hi High (pH 8-9.5) 1.06 -1.87 -47.18 1 6 -1 90 296.306 3
Lo Low (pH 4.5-6) 0.87 0.53 -45.96 3 6 1 85 298.322 3
Lo Low (pH 4.5-6) 0.69 3.17 -48.21 3 6 1 82 298.322 3

Activity (Go SEA)

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