UCSF

ZINC19904217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 No

Other Names:

MFCD02231030

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) 2.35 8.39 -121.37 0 7 -2 110 393.395 7
Lo Low (pH 4.5-6) 2.35 7.56 -56.86 1 7 -1 107 394.403 7

Activity (Go SEA)

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