UCSF

ZINC44624710

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) -2.01 5.47 -42.91 3 5 0 88 250.298 6
Mid Mid (pH 6-8) -2.01 5.14 -43.96 2 5 -1 86 249.29 6

Activity (Go SEA)

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