UCSF

ZINC38590708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 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) 2.99 9.58 -51.69 2 6 1 67 396.442 5
Mid Mid (pH 6-8) 2.99 7.38 -13.32 1 6 0 66 395.434 5

Activity (Go SEA)

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