UCSF

ZINC31300522

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 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) 2.99 7.63 -38.58 2 3 1 34 235.351 4
Hi High (pH 8-9.5) 2.99 5.37 -9.89 1 3 0 32 234.343 4

Activity (Go SEA)

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