UCSF

ZINC35111741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 3.21 5.23 -6.07 2 2 0 32 324.193 5
Lo Low (pH 4.5-6) 3.21 6.58 -52.61 3 2 1 37 325.201 5

Activity (Go SEA)

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