UCSF

ZINC16730613

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 3.88 4.4 -43.82 0 4 -1 57 352.26 5
Lo Low (pH 4.5-6) 3.88 3.96 -8.55 1 4 0 55 353.268 5

Activity (Go SEA)

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