UCSF

ZINC41584064

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 5.00 10.2 -47.13 2 4 1 55 372.872 6
Mid Mid (pH 6-8) 5.00 10.96 -31.74 1 4 0 58 371.864 6

Activity (Go SEA)

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