UCSF

ZINC36078362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 26 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) 4.05 10.35 -43.75 2 5 1 46 354.474 5
Mid Mid (pH 6-8) 4.05 8.2 -13.1 1 5 0 45 353.466 5

Activity (Go SEA)

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