UCSF

ZINC36790354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.85 5.89 -40.51 3 2 1 31 229.432 9
Mid Mid (pH 6-8) 3.85 6.86 -28.97 3 2 1 30 229.432 9
Mid Mid (pH 6-8) 3.85 7 -112.45 4 2 2 32 230.44 9

Activity (Go SEA)

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