UCSF

ZINC45687813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.43 3.94 -7.25 3 4 0 64 208.261 6
Lo Low (pH 4.5-6) 1.43 3.82 -46.86 4 4 1 66 209.269 6

Activity (Go SEA)

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