UCSF

ZINC44421866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 13 Yes

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) 2.65 5.22 -9.71 1 3 0 42 240.104 2
Hi High (pH 8-9.5) 2.65 4.76 -36.68 0 3 -1 40 239.096 2

Activity (Go SEA)

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