UCSF

ZINC39886207

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 23 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) 4.00 7.71 -9.36 1 4 0 58 338.31 3
Mid Mid (pH 6-8) 4.45 6.12 -43.75 0 4 -1 61 337.302 3

Activity (Go SEA)

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