UCSF

ZINC37794977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.31 5.22 -48.08 1 5 -1 78 268.264 6
Lo Low (pH 4.5-6) 1.31 3.24 -12.43 2 5 0 76 269.272 6

Activity (Go SEA)

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