UCSF

ZINC43411954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 No

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) 1.87 4.57 -59.37 2 4 0 42 232.378 4
Hi High (pH 8-9.5) 1.87 2.42 -39.6 1 4 -1 41 231.37 4

Activity (Go SEA)

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