UCSF

ZINC37806817

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) 2.97 7.85 -8 1 3 0 32 286.419 2
Lo Low (pH 4.5-6) 2.97 8.94 -37.5 2 3 1 37 287.427 2

Activity (Go SEA)

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