UCSF

ZINC45906318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 25 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) 2.14 9.51 -10.74 0 4 0 46 331.419 6
Lo Low (pH 4.5-6) 2.14 10.1 -44.87 1 4 1 47 332.427 6

Activity (Go SEA)

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