UCSF

ZINC08440325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 Yes

Other Names:

MFCD02607495

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) 5.13 1.2 -10.63 0 7 0 83 496.398 11
Mid Mid (pH 6-8) 5.13 1.17 -10.73 0 7 0 83 496.398 11
Mid Mid (pH 6-8) 5.31 -0.04 -8.94 0 7 0 83 496.398 11

Activity (Go SEA)

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