UCSF

ZINC22771607

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 4.65 10.82 -46.3 3 2 1 32 293.434 5
Mid Mid (pH 6-8) 4.65 9.36 -6.89 2 2 0 28 292.426 5

Activity (Go SEA)

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