UCSF

ZINC41367580

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 22 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) 3.28 7.21 -8.26 0 4 0 42 298.386 5
Lo Low (pH 4.5-6) 3.28 7.68 -36.56 1 4 1 44 299.394 5

Activity (Go SEA)

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