UCSF

ZINC08439439

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 No

Other Names:

MFCD02188654

Download: MOL2 SDF SMILES Flexibase

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) 5.80 -0.58 -11.11 0 5 0 64 482.374 7
Mid Mid (pH 6-8) 5.98 -0.37 -11.72 0 5 0 64 482.374 7
Mid Mid (pH 6-8) 5.98 0.63 -11.69 0 5 0 64 482.374 7
Mid Mid (pH 6-8) 5.80 -0.49 -14.08 0 5 0 64 482.374 7

Activity (Go SEA)

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