UCSF

ZINC23818107

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2009 24 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) 1.61 8.24 -18.74 0 5 0 51 318.38 4
Lo Low (pH 4.5-6) 1.61 8.69 -34.8 1 5 1 52 319.388 4

Activity (Go SEA)

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