UCSF

ZINC22327091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.53 5.36 -10.86 1 4 0 45 219.288 3
Mid Mid (pH 6-8) 1.53 5.64 -34.85 2 4 1 46 220.296 3

Activity (Go SEA)

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