UCSF

ZINC22688136

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 2.04 4.38 -13.88 2 5 0 57 315.417 7
Mid Mid (pH 6-8) 2.04 6.72 -49.83 3 5 1 59 316.425 7

Activity (Go SEA)

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