UCSF

ZINC37809077

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) 1.93 6.18 -9.73 1 4 0 42 290.407 6
Lo Low (pH 4.5-6) 1.93 7.37 -34.24 2 4 1 46 291.415 6

Activity (Go SEA)

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