UCSF

ZINC48613657

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 27 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) 2.42 9.5 -39.99 1 5 1 37 368.501 7
Mid Mid (pH 6-8) 2.42 7.23 -12.38 0 5 0 36 367.493 7

Activity (Go SEA)

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