UCSF

ZINC37809399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -1.50 -4.33 -37.82 6 6 1 111 204.25 6
Hi High (pH 8-9.5) -1.50 -4.66 -14.2 5 6 0 110 203.242 6

Activity (Go SEA)

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