UCSF

ZINC48951341

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 1.85 6.84 -35.45 2 4 1 46 256.329 2
Mid Mid (pH 6-8) 1.85 6.4 -9.58 1 4 0 45 255.321 2

Activity (Go SEA)

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