UCSF

ZINC41587259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.56 9.82 -9.4 0 7 0 89 406.438 3
Mid Mid (pH 6-8) 4.56 12.81 -49.65 1 7 1 90 407.446 3

Activity (Go SEA)

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