UCSF

ZINC37116804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.89 7.32 -104.67 4 2 2 32 226.408 3
Hi High (pH 8-9.5) 2.89 4.71 -37.23 3 2 1 31 225.4 3
Hi High (pH 8-9.5) 2.89 7.08 -28.82 3 2 1 30 225.4 3

Activity (Go SEA)

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