UCSF

ZINC21049432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 17 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) 1.33 1 -38.58 2 5 -1 87 272.306 3
Mid Mid (pH 6-8) 2.26 1.42 -18.82 3 5 0 88 273.314 2

Activity (Go SEA)

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