UCSF

ZINC45655320

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 0.40 2.25 -37.97 2 5 1 55 225.316 4
Hi High (pH 8-9.5) 0.40 -0.08 -6.37 1 5 0 54 224.308 4

Activity (Go SEA)

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