UCSF

ZINC42764642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.73 9.63 -39.81 1 2 1 28 275.441 1
Mid Mid (pH 6-8) 3.73 7.72 -6.89 0 2 0 27 274.433 1

Activity (Go SEA)

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