UCSF

ZINC08384563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 33 No

Other Names:

MFCD03501909

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) 2.48 -0.25 -57.08 2 8 1 93 453.515 10
Mid Mid (pH 6-8) 1.90 -0.43 -65.78 1 8 1 90 453.515 10

Activity (Go SEA)

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