UCSF

ZINC36171002

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) 0.85 6.9 -100.6 4 3 2 35 277.456 4
Hi High (pH 8-9.5) 0.85 4.68 -41.5 3 3 1 34 276.448 4
Hi High (pH 8-9.5) 0.85 4.33 -2.18 2 3 0 32 275.44 4
Mid Mid (pH 6-8) 0.85 6.23 -33.01 3 3 1 34 276.448 4

Activity (Go SEA)

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