UCSF

ZINC19840922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 1.44 4.26 -120.83 4 4 2 51 254.374 6
Mid Mid (pH 6-8) 1.44 2.15 -45.49 3 4 1 49 253.366 6

Activity (Go SEA)

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