UCSF

ZINC43799901

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 28 No

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) 1.35 2.52 -53.66 3 10 -1 149 416.391 8
Lo Low (pH 4.5-6) 1.35 3.7 -64.05 4 10 0 150 417.399 8

Activity (Go SEA)

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