UCSF

ZINC09243615

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 No

Other Names:

MFCD03779696

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) 2.52 6.3 -62.56 1 7 -1 99 424.473 10
Mid Mid (pH 6-8) 2.96 -2.07 -12.57 2 7 0 96 425.481 9
Mid Mid (pH 6-8) 1.93 -2.51 -11.66 1 7 0 93 425.481 10

Activity (Go SEA)

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