UCSF

ZINC21787555

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) 4.08 12.93 -16.67 0 5 0 47 403.526 8
Mid Mid (pH 6-8) 4.08 13.44 -31.49 1 5 1 49 404.534 8

Activity (Go SEA)

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