UCSF

ZINC43122423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 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) -1.45 0.1 -46.04 4 6 1 86 230.288 5
Mid Mid (pH 6-8) -1.45 -2.1 -14.88 3 6 0 85 229.28 5

Activity (Go SEA)

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