UCSF

ZINC08707083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 23 Yes

Other Names:

MFCD08728767

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) 3.34 9.54 -20.02 1 4 0 59 302.333 4
Lo Low (pH 4.5-6) 3.34 9.3 -35.73 2 4 1 60 303.341 4

Activity (Go SEA)

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