UCSF

ZINC22168129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.74 3.51 -42.38 4 5 1 63 277.392 5
Hi High (pH 8-9.5) 0.74 1.21 -11 3 5 0 62 276.384 5
Mid Mid (pH 6-8) 0.74 3.52 -45.47 4 5 1 63 277.392 5

Activity (Go SEA)

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