UCSF

ZINC41680031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.49 4.93 -32.25 3 3 1 34 248.394 5
Hi High (pH 8-9.5) 1.49 5.68 -30.16 3 3 1 34 248.394 5
Lo Low (pH 4.5-6) 1.49 7.73 -102.99 4 3 2 35 249.402 5

Activity (Go SEA)

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