UCSF

ZINC25538099

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 25 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) 2.25 8.23 -18.14 1 7 0 82 351.391 4
Hi High (pH 8-9.5) 2.32 7.32 -47.02 0 7 -1 88 350.383 4
Mid Mid (pH 6-8) 2.25 8.7 -50.04 2 7 1 83 352.399 4

Activity (Go SEA)

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