UCSF

ZINC51397287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.22 5.33 -43.69 3 3 1 44 260.386 2
Hi High (pH 8-9.5) 2.22 4.93 -6.93 2 3 0 42 259.378 2
Mid Mid (pH 6-8) 2.22 5.35 -27.7 3 3 1 43 260.386 2
Lo Low (pH 4.5-6) 2.22 5.74 -110.37 4 3 2 45 261.394 2

Activity (Go SEA)

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