UCSF

ZINC34823831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 21 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) 2.64 9.13 -40.91 2 4 1 38 287.431 6
Hi High (pH 8-9.5) 2.64 7.75 -5.99 1 4 0 33 286.423 6
Lo Low (pH 4.5-6) 2.64 9.61 -90.85 3 4 2 39 288.439 6

Activity (Go SEA)

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