UCSF

ZINC39849649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 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) 1.95 10.76 -61.55 0 9 -1 132 430.396 7
Lo Low (pH 4.5-6) 1.95 9.88 -20.85 1 9 0 129 431.404 7

Activity (Go SEA)

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