UCSF

ZINC21938615

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 26 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) 1.77 6.79 -53.07 2 6 1 57 357.478 4
Hi High (pH 8-9.5) 1.77 4.26 -15.8 1 6 0 56 356.47 4

Activity (Go SEA)

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