UCSF

ZINC36334951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 11 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) 1.75 3.22 -11.32 1 3 0 42 233.09 2
Hi High (pH 8-9.5) 1.93 1.61 -39.37 0 3 -1 48 232.082 2

Activity (Go SEA)

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