UCSF

ZINC31934880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 No

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) 1.25 7.88 -73.68 1 4 0 49 222.288 6
Hi High (pH 8-9.5) 1.25 5.36 -54.46 0 4 -1 48 221.28 6
Lo Low (pH 4.5-6) 1.25 6.79 -43.87 2 4 1 47 223.296 6

Activity (Go SEA)

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