UCSF

ZINC04123175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 Yes

Other Names:

MFCD02999388

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) 2.79 8.56 -36.94 2 6 1 75 352.414 8
Mid Mid (pH 6-8) 2.79 8.14 -7.54 1 6 0 73 351.406 8
Lo Low (pH 4.5-6) 2.79 9.02 -78.16 3 6 2 76 353.422 8

Activity (Go SEA)

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