UCSF

ZINC20226032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.11 7.43 -123.63 4 2 2 32 256.821 5
Mid Mid (pH 6-8) 3.11 6.02 -47.62 3 2 1 31 255.813 5

Activity (Go SEA)

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