UCSF

ZINC55359171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) -0.02 10.29 -130.32 2 7 -1 114 349.407 11
Hi High (pH 8-9.5) -0.02 8.17 -117.1 1 7 -2 113 348.399 11
Lo Low (pH 4.5-6) -0.02 8.27 -81.2 3 7 0 111 350.415 11

Activity (Go SEA)

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