UCSF

ZINC34675638

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.61 12.73 -16.74 0 8 0 88 493.535 8
Mid Mid (pH 6-8) 4.61 14.29 -49.08 1 8 1 89 494.543 8

Activity (Go SEA)

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