UCSF

ZINC41584957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 Yes

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) 3.41 7.27 -48.59 2 5 1 58 385.871 4
Hi High (pH 8-9.5) 3.41 5.8 -40.81 0 5 -1 60 383.855 4
Mid Mid (pH 6-8) 3.41 5.03 -9.72 1 5 0 57 384.863 4
Mid Mid (pH 6-8) 3.41 7.29 -51.04 2 5 1 58 385.871 4

Activity (Go SEA)

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