UCSF

ZINC34227522

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 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) 1.37 2.91 -85.47 2 6 -2 121 300.228 11
Hi High (pH 8-9.5) 1.37 5.14 -278.85 0 6 -4 126 298.212 11
Mid Mid (pH 6-8) 1.37 4.02 -178.55 1 6 -3 124 299.22 11

Activity (Go SEA)

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