UCSF

ZINC20393966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 32 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) 4.32 6.98 -42.42 2 6 1 67 449.449 5
Hi High (pH 8-9.5) 4.32 5.38 -38.74 0 6 -1 69 447.433 5
Mid Mid (pH 6-8) 4.32 4.62 -8.54 1 6 0 66 448.441 5
Mid Mid (pH 6-8) 4.32 6.87 -44.8 2 6 1 67 449.449 5

Activity (Go SEA)

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