UCSF

ZINC51581545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 24 Yes

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) 2.31 8.62 -39.49 2 5 1 54 352.524 8
Hi High (pH 8-9.5) 2.31 6.44 -12.05 1 5 0 53 351.516 8

Activity (Go SEA)

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