UCSF

ZINC41568875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 1.57 6.19 -50.74 3 6 1 65 330.456 7
Hi High (pH 8-9.5) 1.57 3.93 -17.14 2 6 0 64 329.448 7
Lo Low (pH 4.5-6) 1.57 6.68 -85.86 4 6 2 67 331.464 7

Activity (Go SEA)

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