UCSF

ZINC31978103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.61 7.76 -79.56 1 5 0 57 292.379 6
Hi High (pH 8-9.5) 2.61 5.29 -59.24 0 5 -1 56 291.371 6
Mid Mid (pH 6-8) 2.61 7.36 -74.89 1 5 0 57 292.379 6

Activity (Go SEA)

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