UCSF

ZINC06665435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 16 Yes

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) 2.02 2.11 -41.13 1 4 -1 65 259.068 1
Mid Mid (pH 6-8) 3.32 -3.59 -10.44 2 4 0 62 260.076 1

Activity (Go SEA)

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