UCSF

ZINC59604670

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 21 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) 5.07 9.06 -32.59 3 2 1 30 295.466 9
Hi High (pH 8-9.5) 5.07 7.44 -1.91 2 2 0 29 294.458 9
Lo Low (pH 4.5-6) 5.07 9.25 -121.85 4 2 2 32 296.474 9

Activity (Go SEA)

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