UCSF

ZINC27379691

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) 2.61 8.29 -15.48 1 4 0 45 313.376 5
Lo Low (pH 4.5-6) 2.61 8.55 -44.3 2 4 1 46 314.384 5

Activity (Go SEA)

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