UCSF

ZINC12844998

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 31 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) 2.85 9.04 -47.74 2 8 1 77 429.541 9
Mid Mid (pH 6-8) 2.85 6.87 -45.9 2 8 1 77 429.541 9
Mid Mid (pH 6-8) 2.85 6.58 -13.82 1 8 0 76 428.533 9

Activity (Go SEA)

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