UCSF

ZINC36154494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.26 3.61 -65.06 3 7 1 92 339.441 8
Hi High (pH 8-9.5) 1.26 5.23 -50.11 3 7 1 89 339.441 8
Hi High (pH 8-9.5) 1.72 2.85 -57.15 2 7 0 92 338.433 8
Mid Mid (pH 6-8) 1.26 2.19 -20.71 2 7 0 87 338.433 8
Lo Low (pH 4.5-6) 1.26 6.06 -141.41 4 7 2 93 340.449 8

Activity (Go SEA)

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