UCSF

ZINC31974029

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) 1.10 3.28 -55.34 3 5 1 70 290.368 3
Hi High (pH 8-9.5) 1.10 2.89 -10.19 2 5 0 68 289.36 3

Activity (Go SEA)

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