UCSF

ZINC39869962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

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) 4.65 9.4 -202.19 0 7 -3 124 417.781 5
Mid Mid (pH 6-8) 4.65 9.81 -126.6 1 7 -2 122 418.789 5

Activity (Go SEA)

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