UCSF

ZINC22148821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.29 4.13 -53.58 2 6 -1 98 236.251 5
Mid Mid (pH 6-8) -1.29 4.64 -68.09 3 6 0 99 237.259 5
Mid Mid (pH 6-8) -1.29 5.13 -62.88 2 6 -1 98 236.251 5

Activity (Go SEA)

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