UCSF

ZINC40503773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 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) 2.70 5.37 -41.83 2 4 1 51 366.276 4
Hi High (pH 8-9.5) 2.70 3.15 -6.36 1 4 0 49 365.268 4
Hi High (pH 8-9.5) 2.70 5.16 -35.72 1 4 0 53 365.268 4

Activity (Go SEA)

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