UCSF

ZINC07612979

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 25 No

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) -1.65 -2.95 -47.14 1 5 1 48 353.471 3
Mid Mid (pH 6-8) -1.19 -0.67 -104.45 2 5 2 50 354.479 3

Activity (Go SEA)

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