UCSF

ZINC06162290

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2006 35 No

Other Names:

MFCD02224243

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) 6.17 1.49 -11.58 0 6 0 74 496.003 8
Mid Mid (pH 6-8) 6.17 1.21 -15.29 0 6 0 74 496.003 8
Mid Mid (pH 6-8) 6.35 0.21 -12.88 0 6 0 74 496.003 8

Activity (Go SEA)

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