UCSF

ZINC37803058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.41 0.52 -48.37 3 6 1 69 255.342 6
Hi High (pH 8-9.5) -0.41 -0.92 -14.17 2 6 0 65 254.334 6
Lo Low (pH 4.5-6) -0.41 2.66 -103.56 4 6 2 70 256.35 6

Activity (Go SEA)

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