UCSF

ZINC34668122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 5.18 11.36 -11.45 1 4 0 36 417.528 5
Mid Mid (pH 6-8) 5.18 13.56 -47.36 2 4 1 37 418.536 5

Activity (Go SEA)

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