UCSF

ZINC42173772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 1.32 5.11 -47.29 3 4 1 51 294.463 6
Mid Mid (pH 6-8) 1.32 7.31 -103.49 4 4 2 52 295.471 6

Activity (Go SEA)

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