UCSF

ZINC41477915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 2.58 10.31 -82.64 2 5 2 48 315.417 4
Mid Mid (pH 6-8) 2.58 7.95 -27.31 1 5 1 47 314.409 4

Activity (Go SEA)

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