UCSF

ZINC42449473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.90 6.06 -43.25 2 4 1 57 240.371 7
Mid Mid (pH 6-8) 1.90 4.93 -8.97 1 4 0 56 239.363 7

Activity (Go SEA)

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