UCSF

ZINC41587616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.54 5.29 -20.15 0 7 0 86 520.401 3
Lo Low (pH 4.5-6) 3.54 8.07 -70.36 1 7 1 87 521.409 3

Activity (Go SEA)

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