UCSF

ZINC36191275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.22 3.86 -44.05 2 5 1 63 318.85 5
Hi High (pH 8-9.5) 2.22 3.43 -27.36 1 5 0 66 317.842 5
Hi High (pH 8-9.5) 2.22 1.67 -9.1 1 5 0 62 317.842 5

Activity (Go SEA)

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