UCSF

ZINC41663184

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 3.10 6.3 -10.83 0 7 0 58 449.551 6
Mid Mid (pH 6-8) 3.10 8.57 -48.69 1 7 1 60 450.559 6
Lo Low (pH 4.5-6) 3.10 9.32 -134.5 2 7 0 61 451.567 6

Activity (Go SEA)

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