UCSF

ZINC34886338

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 No

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) 0.89 7.24 -54.74 3 12 -1 159 461.395 6
Lo Low (pH 4.5-6) 0.89 7.7 -66.71 4 12 0 160 462.403 6

Activity (Go SEA)

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