UCSF

ZINC37794846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.91 9.04 -47.88 1 4 -1 69 286.351 4
Lo Low (pH 4.5-6) 2.91 7.04 -8.92 2 4 0 66 287.359 4

Activity (Go SEA)

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