UCSF

ZINC36615185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 22 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) 1.72 3.54 -9.87 0 7 0 65 323.422 5
Mid Mid (pH 6-8) 1.72 5.81 -49.92 1 7 1 66 324.43 5

Activity (Go SEA)

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