UCSF

ZINC01290995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 30 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) 4.32 8.65 -17.73 1 6 0 75 441.578 4
Mid Mid (pH 6-8) 4.78 7.41 -48.02 0 6 -1 78 440.57 4

Activity (Go SEA)

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