UCSF

ZINC39952186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 21 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) 1.71 4.27 -43.42 3 5 1 55 290.387 6
Lo Low (pH 4.5-6) 1.71 5.68 -116.44 4 5 2 59 291.395 6
Lo Low (pH 4.5-6) 1.71 2.8 -42.03 3 5 1 58 290.387 6

Activity (Go SEA)

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