UCSF

ZINC41662443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 3.25 6.9 -14.98 0 8 0 69 489.572 6
Mid Mid (pH 6-8) 3.25 9.17 -55.29 1 8 1 71 490.58 6

Activity (Go SEA)

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