UCSF

ZINC37834230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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 5.28 -53.88 1 6 -1 90 257.31 9
Lo Low (pH 4.5-6) 0.82 3.31 -13.44 2 6 0 87 258.318 9

Activity (Go SEA)

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