UCSF

ZINC37830180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.82 4.28 -53.44 1 5 -1 81 228.268 7
Lo Low (pH 4.5-6) 0.82 2.28 -10.78 2 5 0 78 229.276 7

Activity (Go SEA)

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