UCSF

ZINC22171454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 10 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) 0.69 1.75 -41.52 3 2 1 31 145.27 4
Mid Mid (pH 6-8) 0.68 3.2 -26.73 3 2 1 30 145.27 4
Mid Mid (pH 6-8) 0.69 3.6 -108.8 4 2 2 32 146.278 4

Activity (Go SEA)

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