UCSF

ZINC22152294

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) 0.47 2.99 -98.18 5 5 2 64 278.4 5
Mid Mid (pH 6-8) 0.47 2.86 -102.1 5 5 2 64 278.4 5
Mid Mid (pH 6-8) 0.47 0.52 -57.86 4 5 1 63 277.392 5

Activity (Go SEA)

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