UCSF

ZINC37241621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 1.49 4.76 -29.65 2 2 1 16 169.292 4
Hi High (pH 8-9.5) 1.49 2.43 -0.9 1 2 0 15 168.284 4
Lo Low (pH 4.5-6) 1.49 3.62 -36.68 2 2 1 20 169.292 4
Lo Low (pH 4.5-6) 1.49 5.96 -103 3 2 2 21 170.3 4

Activity (Go SEA)

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