UCSF

ZINC08440549

Substance Information

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

Other Names:

MFCD03837927

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) 4.35 9.34 -52.25 0 6 -1 79 461.321 9
Mid Mid (pH 6-8) 4.79 -0.6 -32 1 6 0 76 462.329 8
Mid Mid (pH 6-8) 3.76 -0.31 -27.96 0 6 0 72 462.329 9

Activity (Go SEA)

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