UCSF

ZINC11462239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.41 3.65 -16.2 2 9 0 117 425.536 8
Mid Mid (pH 6-8) 1.41 3.63 -18.82 2 9 0 117 425.536 8

Activity (Go SEA)

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