UCSF

ZINC20653168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 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) 3.98 9.68 -36.82 1 3 1 17 311.449 6
Hi High (pH 8-9.5) 3.98 7.31 -5.24 0 3 0 16 310.441 6
Mid Mid (pH 6-8) 3.98 9.56 -39.25 1 3 1 17 311.449 6

Activity (Go SEA)

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