UCSF

ZINC52698235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 16 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) 3.54 7.61 -37.81 2 2 1 26 222.352 7
Hi High (pH 8-9.5) 3.54 6.2 -3.17 1 2 0 21 221.344 7

Activity (Go SEA)

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