UCSF

ZINC36778363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.57 4.75 -36.62 2 4 1 50 234.323 3
Hi High (pH 8-9.5) 0.57 3.53 -7.87 1 4 0 45 233.315 3
Lo Low (pH 4.5-6) 0.57 5.26 -81.35 3 4 2 51 235.331 3

Activity (Go SEA)

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