UCSF

ZINC37828296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.32 7.74 -72.77 0 6 -1 87 282.316 4
Lo Low (pH 4.5-6) 1.32 6.12 -18.4 1 6 0 84 283.324 4

Activity (Go SEA)

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