UCSF

ZINC16249892

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 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) 4.63 8.08 -6.38 1 3 0 42 367.044 1
Mid Mid (pH 6-8) 4.63 8.49 -32.43 2 3 1 43 368.052 1
Lo Low (pH 4.5-6) 4.63 8.31 -29.94 2 3 1 43 368.052 1
Lo Low (pH 4.5-6) 4.63 8.73 -99.46 3 3 2 44 369.06 1

Activity (Go SEA)

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