UCSF

ZINC02443460

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.25 7.87 -34.14 4 11 1 142 442.479 7
Hi High (pH 8-9.5) 3.25 5.41 -9.24 3 11 0 140 441.471 7

Activity (Go SEA)

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