UCSF

ZINC45410498

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.98 6.65 -45.82 2 7 1 60 364.514 4
Mid Mid (pH 6-8) 0.98 8.81 -93.29 3 7 2 62 365.522 4

Activity (Go SEA)

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