UCSF

ZINC04239964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 23 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) 1.41 -4.05 -17.07 2 7 0 97 335.385 5
Hi High (pH 8-9.5) 1.41 -3.6 -51.37 1 7 -1 99 334.377 5

Activity (Go SEA)

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