UCSF

ZINC40458720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 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) -1.08 -1.57 -48.34 5 5 1 88 225.268 3
Mid Mid (pH 6-8) -1.08 -1.88 -12.98 4 5 0 87 224.26 3

Activity (Go SEA)

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