UCSF

ZINC20190029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 1.17 5.56 -37.93 2 4 1 34 237.371 5
Lo Low (pH 4.5-6) 1.17 6.84 -109.7 3 4 2 39 238.379 5
Lo Low (pH 4.5-6) 1.17 4.55 -43.61 2 4 1 38 237.371 5

Activity (Go SEA)

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