UCSF

ZINC72240360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2012 19 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) 2.00 5.11 -55.07 0 5 -1 74 297.381 5
Lo Low (pH 4.5-6) 2.00 5.12 -13.49 1 5 0 72 298.389 5

Activity (Go SEA)

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