UCSF

ZINC36754308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -1.00 -1.31 -48.27 4 5 1 84 197.262 3
Lo Low (pH 4.5-6) -1.00 0.87 -113.8 5 5 2 85 198.27 3

Activity (Go SEA)

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