UCSF

ZINC33350520

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2009 28 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) 4.84 11.25 -51.33 0 6 -1 84 391.428 5
Lo Low (pH 4.5-6) 0.61 11.64 -59.56 1 6 0 82 392.436 6

Activity (Go SEA)

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