UCSF

ZINC34690763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 15 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) 1.65 3.76 -32.36 1 8 -1 135 213.125 2
Lo Low (pH 4.5-6) 1.65 2.77 -9.73 2 8 0 132 214.133 2

Activity (Go SEA)

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