UCSF

ZINC31562131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 28 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) 4.94 15.36 -45.09 1 3 1 22 376.568 6
Hi High (pH 8-9.5) 4.94 13.1 -8.06 0 3 0 21 375.56 6
Lo Low (pH 4.5-6) 4.94 15.8 -86.1 2 3 2 24 377.576 6

Activity (Go SEA)

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