UCSF

ZINC40447865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 13 Yes

Other Names:

MFCD11505010

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) 2.45 4.84 -35.99 3 2 1 32 195.673 2
Hi High (pH 8-9.5) 2.45 3.39 -3.5 2 2 0 28 194.665 2

Activity (Go SEA)

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