UCSF

ZINC14985673

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 10 Yes

Other Names:

MFCD08690127

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) 1.67 3.31 -6.64 1 2 0 29 152.584 0
Lo Low (pH 4.5-6) 1.67 3.59 -31.37 2 2 1 30 153.592 0

Activity (Go SEA)

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