UCSF

ZINC20042151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 1.84 3.96 -36.58 2 4 1 48 239.339 6
Hi High (pH 8-9.5) 1.84 2.66 -7.09 1 4 0 43 238.331 6

Activity (Go SEA)

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