UCSF

ZINC19946925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 26 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) 1.99 8.1 -48.84 5 6 1 106 365.494 12
Mid Mid (pH 6-8) 1.99 7.78 -8.66 4 6 0 105 364.486 12

Activity (Go SEA)

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