UCSF

ZINC21794190

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.76 10.72 -8.82 1 3 0 30 297.789 4
Mid Mid (pH 6-8) 3.76 11.2 -37.86 2 3 1 31 298.797 4

Activity (Go SEA)

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