UCSF

ZINC39696643

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 1.25 6.7 -56.73 3 8 1 96 503.623 4
Mid Mid (pH 6-8) 1.25 9.12 -110.65 4 8 2 97 504.631 4

Activity (Go SEA)

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