UCSF

ZINC22790913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 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) 4.44 12.83 -49.12 2 6 1 57 475.588 8
Hi High (pH 8-9.5) 4.44 10.59 -16.7 1 6 0 56 474.58 8
Hi High (pH 8-9.5) 4.44 12.85 -43.03 2 6 1 57 475.588 8

Activity (Go SEA)

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