UCSF

ZINC41543664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 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) 1.95 9.06 -61.27 2 7 0 94 411.502 6
Lo Low (pH 4.5-6) 1.95 8.3 -44.15 3 7 1 91 412.51 6

Activity (Go SEA)

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