UCSF

ZINC42977562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 2.69 9.39 -43.32 1 3 1 25 275.397 5
Mid Mid (pH 6-8) 2.69 7.14 -11.08 0 3 0 24 274.389 5

Activity (Go SEA)

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