UCSF

ZINC28196097

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 0.56 1.17 -108.53 2 8 -2 136 321.314 5
Lo Low (pH 4.5-6) 0.56 1.04 -54.48 3 8 -1 134 322.322 5

Activity (Go SEA)

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