UCSF

ZINC55153129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 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) 3.77 12.24 -38.42 1 3 1 25 381.515 5
Hi High (pH 8-9.5) 3.77 9.73 -10.31 0 3 0 24 380.507 5
Mid Mid (pH 6-8) 3.77 11.85 -41.58 1 3 1 25 381.515 5

Activity (Go SEA)

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