UCSF

ZINC37349694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 4.26 6.25 -7.02 2 3 0 52 297.185 2
Lo Low (pH 4.5-6) 4.26 6.18 -24.06 3 3 1 53 298.193 2

Activity (Go SEA)

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