UCSF

ZINC13511090

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 No

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) 2.21 2.94 -48.17 0 7 -1 93 351.338 4
Lo Low (pH 4.5-6) 1.75 5.62 -11.48 1 7 0 90 352.346 4

Activity (Go SEA)

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