UCSF

ZINC20433086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 No

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) -0.02 3.12 -48.94 4 4 1 60 246.4 7
Hi High (pH 8-9.5) -0.02 1.05 -21.66 3 4 0 58 245.392 7

Activity (Go SEA)

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