UCSF

ZINC21540640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 7.63 16.65 -18.68 0 4 0 35 480.49 3
Lo Low (pH 4.5-6) 7.63 16.83 -31.72 1 4 1 37 481.498 3

Activity (Go SEA)

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