UCSF

ZINC04209617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 No

Download: MOL2 SDF SMILES Flexibase

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) 2.06 4.61 -17.69 3 9 0 120 446.463 5
Hi High (pH 8-9.5) 2.06 5.39 -63.93 2 9 -1 123 445.455 5
Lo Low (pH 4.5-6) 2.06 4.95 -37.79 4 9 1 122 447.471 5

Activity (Go SEA)

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