UCSF

ZINC25913225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 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) 2.54 11.12 -54.51 1 5 1 49 328.436 5
Hi High (pH 8-9.5) 2.54 8.86 -12.64 0 5 0 47 327.428 5

Activity (Go SEA)

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