UCSF

ZINC43293277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 1.00 2.27 -105.46 5 3 2 52 216.369 4
Mid Mid (pH 6-8) 1.00 2.28 -24.89 4 3 1 51 215.361 4
Mid Mid (pH 6-8) 1.00 0.69 -39.96 4 3 1 51 215.361 4

Activity (Go SEA)

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