UCSF

ZINC36873951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.77 5.23 -55 4 3 1 56 234.298 4
Hi High (pH 8-9.5) 0.77 4.91 -9.3 3 3 0 55 233.29 4
Lo Low (pH 4.5-6) 0.77 5.61 -122.53 5 3 2 58 235.306 4

Activity (Go SEA)

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