UCSF

ZINC34959792

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) 2.68 8.3 -48.17 1 7 -1 105 330.401 14
Lo Low (pH 4.5-6) 2.68 6.23 -14.02 2 7 0 102 331.409 14

Activity (Go SEA)

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