UCSF

ZINC37848805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.12 0.83 -118.15 5 5 2 71 270.373 8
Hi High (pH 8-9.5) 0.12 -2.75 -7.97 3 5 0 65 268.357 8
Mid Mid (pH 6-8) 0.12 -1.43 -44.27 4 5 1 70 269.365 8
Mid Mid (pH 6-8) 0.12 -0.45 -42.69 4 5 1 66 269.365 8

Activity (Go SEA)

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