UCSF

ZINC02790855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 2.72 5.7 -18.33 3 8 0 119 426.432 4
Lo Low (pH 4.5-6) 2.72 6.03 -61.87 4 8 1 121 427.44 4

Activity (Go SEA)

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