UCSF

ZINC04146315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 34 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) 5.06 -2.72 -14.71 2 7 0 91 487.597 12
Hi High (pH 8-9.5) 5.06 -2.14 -37.57 1 7 -1 93 486.589 12

Activity (Go SEA)

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