UCSF

ZINC43477264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.98 6.64 -51.16 3 2 1 37 280.75 4
Hi High (pH 8-9.5) 3.98 5.53 -6.47 2 2 0 32 279.742 4
Hi High (pH 8-9.5) 3.98 7.41 -62.64 2 2 0 40 279.742 4

Activity (Go SEA)

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