UCSF

ZINC34947667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 23 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) 0.87 5.11 -12 4 10 0 140 322.325 5
Lo Low (pH 4.5-6) 0.87 5.61 -36.66 5 10 1 142 323.333 5

Activity (Go SEA)

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