UCSF

ZINC31975542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.62 8.47 -50.67 3 3 1 45 266.368 2
Hi High (pH 8-9.5) 3.62 8.09 -10.76 2 3 0 43 265.36 2
Mid Mid (pH 6-8) 3.62 8.82 -99.19 4 3 2 46 267.376 2

Activity (Go SEA)

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