UCSF

ZINC43242815

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 0.98 1.47 -46.26 5 4 1 74 282.433 6
Hi High (pH 8-9.5) 0.98 0.63 -7.63 4 4 0 72 281.425 6
Hi High (pH 8-9.5) 0.98 2.59 -26.94 5 4 1 74 282.433 6
Lo Low (pH 4.5-6) 0.98 2.95 -118.72 6 4 2 75 283.441 6

Activity (Go SEA)

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