UCSF

ZINC36358180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 3.31 3.66 -53.85 1 8 -1 112 386.391 3
Ref Reference (pH 7) 3.12 6.4 -48.45 1 8 -1 109 386.391 3
Lo Low (pH 4.5-6) 2.85 5.55 -13.57 2 8 0 109 387.399 3
Lo Low (pH 4.5-6) 2.66 8.22 -12.54 2 8 0 106 387.399 3

Activity (Go SEA)

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