UCSF

ZINC43409573

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 22 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) 4.96 11.14 -43.34 0 2 -1 40 301.45 2
Lo Low (pH 4.5-6) 4.96 9.35 -3.52 1 2 0 37 302.458 2

Activity (Go SEA)

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