UCSF

ZINC02585435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 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) 7.21 13.33 -45.86 0 3 -1 57 341.471 11
Lo Low (pH 4.5-6) 7.21 12.52 -6 1 3 0 54 342.479 11

Activity (Go SEA)

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