UCSF

ZINC34613182

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) -0.04 11.65 -72.54 0 7 -1 86 400.43 3
Mid Mid (pH 6-8) -0.04 9.59 -21.17 1 7 0 83 401.438 3
Lo Low (pH 4.5-6) -2.78 8.74 -34.81 1 7 0 89 401.438 2

Activity (Go SEA)

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