UCSF

ZINC39017839

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 1.56 6.81 -51.83 0 3 -1 57 183.227 4
Lo Low (pH 4.5-6) 1.56 4.83 -9.4 1 3 0 54 184.235 4

Activity (Go SEA)

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