UCSF

ZINC24116523

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 37 No

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) 3.43 9.02 -61.53 0 8 -1 85 504.607 10
Mid Mid (pH 6-8) 3.43 11.35 -76.85 1 8 0 87 505.615 10

Activity (Go SEA)

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