UCSF

ZINC52254298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 17 No

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) 1.52 3.33 -47.04 1 4 -1 70 245.201 5
Mid Mid (pH 6-8) 1.52 2.72 -7.05 2 4 0 67 246.209 5

Activity (Go SEA)

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