UCSF

ZINC41474753

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.06 5.83 -31.28 2 3 1 35 263.748 3
Hi High (pH 8-9.5) 3.06 5.41 -6.32 1 3 0 34 262.74 3

Activity (Go SEA)

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