UCSF

ZINC67172475

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 16 Yes

Other Names:

MFCD19104992

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) 1.64 2.19 -9.84 1 4 0 49 260.746 2
Hi High (pH 8-9.5) 1.64 1.78 -41.94 0 4 -1 51 259.738 2

Activity (Go SEA)

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