UCSF

ZINC51783412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 14 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) 0.22 2.96 -109.43 4 4 2 50 199.298 4
Hi High (pH 8-9.5) 0.22 1.54 -36.61 3 4 1 46 198.29 4
Hi High (pH 8-9.5) 0.22 -0.65 -8.01 2 4 0 44 197.282 4
Mid Mid (pH 6-8) 0.22 0.77 -42.99 3 4 1 49 198.29 4

Activity (Go SEA)

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