UCSF

ZINC45628295

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.08 8.33 -36 2 4 1 52 280.388 10
Mid Mid (pH 6-8) 3.08 7.02 -5.01 1 4 0 48 279.38 10

Activity (Go SEA)

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