UCSF

ZINC37796329

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.21 5.66 -53.41 1 6 -1 90 295.359 4
Lo Low (pH 4.5-6) 1.21 3.66 -15.2 2 6 0 87 296.367 4

Activity (Go SEA)

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