UCSF

ZINC36170951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.05 5.03 -101.1 4 4 2 45 279.428 5
Hi High (pH 8-9.5) 0.05 2.82 -43.32 3 4 1 43 278.42 5
Hi High (pH 8-9.5) 0.05 2.18 -3.92 2 4 0 42 277.412 5
Mid Mid (pH 6-8) 0.05 4.42 -37.52 3 4 1 43 278.42 5

Activity (Go SEA)

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