UCSF

ZINC02792264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 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) 3.85 11.36 -50.31 0 9 -1 107 434.404 8
Lo Low (pH 4.5-6) 3.12 11.52 -21.94 1 9 0 110 435.412 8

Activity (Go SEA)

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