UCSF

ZINC43249019

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.44 5.35 -35.67 3 2 1 31 269.478 5
Hi High (pH 8-9.5) 3.44 6.98 -26.12 3 2 1 30 269.478 5
Hi High (pH 8-9.5) 3.44 5.43 -2.03 2 2 0 29 268.47 5
Lo Low (pH 4.5-6) 3.44 7.2 -113.63 4 2 2 32 270.486 5

Activity (Go SEA)

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