UCSF

ZINC54426080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 22 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) 3.84 9.91 -41.39 4 5 1 67 333.202 1
Mid Mid (pH 6-8) 3.71 9.47 -17.3 3 5 0 68 332.194 1

Activity (Go SEA)

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