UCSF

ZINC45657194

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 0.71 4.99 -41.98 2 4 1 44 238.355 5
Hi High (pH 8-9.5) 0.71 3.74 -6.39 1 4 0 39 237.347 5

Activity (Go SEA)

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