UCSF

ZINC03306180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 19 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) 2.70 5.99 -44.78 1 4 1 42 324.253 2
Mid Mid (pH 6-8) 2.70 3.86 -6.67 0 4 0 41 323.245 2

Activity (Go SEA)

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