UCSF

ZINC52256265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 4.00 4.26 -8.54 2 4 0 67 286.755 6
Hi High (pH 8-9.5) 4.00 5.03 -46.99 1 4 -1 70 285.747 6

Activity (Go SEA)

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