UCSF

ZINC42458862

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.00 1.8 -98.47 4 4 2 51 206.33 9
Hi High (pH 8-9.5) 0.00 -0.12 -32.47 2 4 0 52 204.314 9
Hi High (pH 8-9.5) 0.00 -0.66 -38.49 3 4 1 49 205.322 9
Mid Mid (pH 6-8) 0.00 2.34 -42.78 3 4 1 53 205.322 9

Activity (Go SEA)

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