UCSF

ZINC30007808

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 19 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) -2.44 6.95 -40.84 0 4 1 36 258.345 4
Mid Mid (pH 6-8) -2.44 9.48 -116.76 1 4 2 37 259.353 4

Activity (Go SEA)

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