UCSF

ZINC36075569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 16 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) 0.44 5.94 -56.41 1 4 -1 73 224.142 1
Hi High (pH 8-9.5) 1.74 4.69 -115.73 0 4 -2 76 223.134 1
Lo Low (pH 4.5-6) 1.74 4.1 -34.58 2 4 0 74 225.15 1
Lo Low (pH 4.5-6) 0.44 5.12 -25.7 2 4 0 76 225.15 1

Activity (Go SEA)

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