UCSF

ZINC05686969

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 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) 2.60 6.9 -56.6 0 5 -1 70 340.33 4
Mid Mid (pH 6-8) 3.04 1.62 -19.17 1 5 0 66 341.338 3

Activity (Go SEA)

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