UCSF

ZINC43916141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 0.58 1.58 -30.51 2 4 1 38 217.333 6
Hi High (pH 8-9.5) 0.58 0.04 -2.9 1 4 0 34 216.325 6
Mid Mid (pH 6-8) 0.58 2.55 -29.73 2 4 1 35 217.333 6

Activity (Go SEA)

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