UCSF

ZINC42464801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.22 7.78 -26.52 1 4 1 32 272.8 4
Mid Mid (pH 6-8) 2.22 7.65 -4.66 0 4 0 30 271.792 4

Activity (Go SEA)

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