UCSF

ZINC44624379

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -2.51 4.67 -66.18 3 5 0 88 236.271 5
Mid Mid (pH 6-8) -2.51 4.33 -52.49 2 5 -1 86 235.263 5

Activity (Go SEA)

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