UCSF

ZINC37792193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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 7.09 -56.31 1 5 -1 78 286.392 11
Lo Low (pH 4.5-6) 2.14 4.55 -6.67 2 5 0 76 287.4 11

Activity (Go SEA)

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