UCSF

ZINC18191080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 2.88 4.84 -9.92 5 6 0 118 337.408 2
Mid Mid (pH 6-8) 2.88 5.12 -42.56 6 6 1 119 338.416 2

Activity (Go SEA)

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