UCSF

ZINC36318251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 4.44 8.03 -58.88 3 3 1 45 372.073 2
Hi High (pH 8-9.5) 4.44 7.63 -10.82 2 3 0 43 371.065 2

Activity (Go SEA)

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