UCSF

ZINC33688263

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 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) 7.87 15.47 -11.24 0 4 0 44 442.584 6
Ref Reference (pH 7) 7.87 14.11 -11.52 0 4 0 44 442.584 6
Lo Low (pH 4.5-6) 7.87 14.61 -30.12 1 4 1 45 443.592 6
Lo Low (pH 4.5-6) 7.87 15.79 -28.28 1 4 1 45 443.592 6

Activity (Go SEA)

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