UCSF

ZINC36861500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.33 0.07 -10.22 4 5 0 80 211.265 6
Mid Mid (pH 6-8) -0.11 -1.78 -51.35 4 5 1 78 212.273 6

Activity (Go SEA)

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