UCSF

ZINC35592593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 20 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) 4.37 3.23 -42.19 1 4 -1 68 351.618 3
Mid Mid (pH 6-8) 4.37 2.8 -10.35 2 4 0 66 352.626 3

Activity (Go SEA)

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