UCSF

ZINC34675545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.22 10.78 -15.99 0 5 0 44 447.604 6
Mid Mid (pH 6-8) 4.22 13.13 -54.03 1 5 1 45 448.612 6

Activity (Go SEA)

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