UCSF

ZINC42451641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 2.15 3.64 -2.1 0 2 0 12 236.153 3
Mid Mid (pH 6-8) 2.15 5.5 -34.57 1 2 1 14 237.161 3

Activity (Go SEA)

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