UCSF

ZINC42405076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 No

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) -0.52 1.24 -40.76 3 6 1 66 257.358 6
Hi High (pH 8-9.5) -0.52 -0.73 -14.16 2 6 0 65 256.35 6
Mid Mid (pH 6-8) -0.52 2.53 -106.03 4 6 2 70 258.366 6

Activity (Go SEA)

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