UCSF

ZINC20265188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 2.90 7.02 -142.3 4 2 2 32 270.367 3
Hi High (pH 8-9.5) 2.90 5.62 -56.93 3 2 1 31 269.359 3
Hi High (pH 8-9.5) 2.90 6.67 -36.32 3 2 1 30 269.359 3

Activity (Go SEA)

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