UCSF

ZINC37073806

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.38 4.18 -36.28 2 4 1 46 229.344 5
Mid Mid (pH 6-8) 1.38 3.11 -3.71 1 4 0 42 228.336 5
Mid Mid (pH 6-8) 1.38 5.32 -32.48 2 4 1 43 229.344 5
Lo Low (pH 4.5-6) 1.38 6.37 -101.63 3 4 2 47 230.352 5

Activity (Go SEA)

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