UCSF

ZINC21787286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 5.20 12.89 -18.22 0 5 0 47 425.96 7
Mid Mid (pH 6-8) 5.20 13.39 -34.51 1 5 1 49 426.968 7

Activity (Go SEA)

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