UCSF

ZINC71772434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2011 20 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) -0.91 -2.94 -15.55 4 8 0 116 274.236 2
Hi High (pH 8-9.5) -0.73 -5.59 -47.56 3 8 -1 123 273.228 2
Hi High (pH 8-9.5) -0.54 -8.24 -91.05 2 8 -2 129 272.22 2

Activity (Go SEA)

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