UCSF

ZINC25866052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 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) 3.66 9.37 -20.53 1 5 0 71 349.434 8
Mid Mid (pH 6-8) 3.66 9.67 -38.78 2 5 1 72 350.442 8

Activity (Go SEA)

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