UCSF

ZINC04317730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 24 No

Download: MOL2 SDF SMILES Flexibase

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) 2.99 8.45 -13.41 1 5 0 53 323.396 4
Mid Mid (pH 6-8) 2.99 9.22 -24.24 2 5 0 54 324.404 4
Mid Mid (pH 6-8) 2.99 9.21 -24.04 2 5 0 54 324.404 4

Activity (Go SEA)

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