UCSF

ZINC20198537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 0.45 1.21 -36.91 3 4 1 46 231.36 7
Lo Low (pH 4.5-6) 0.45 2.57 -101.42 4 4 2 51 232.368 7
Lo Low (pH 4.5-6) 0.45 0.31 -38.23 3 4 1 49 231.36 7

Activity (Go SEA)

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