UCSF

ZINC36018916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2009 16 Yes

Other Names:

MFCD00979813

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) 2.08 6.37 -36.73 2 2 1 16 223.315 3
Lo Low (pH 4.5-6) 2.08 7.56 -111.86 3 2 2 21 224.323 3

Activity (Go SEA)

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