UCSF

ZINC37128631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.26 10.79 -37.92 2 1 1 17 286.414 6
Hi High (pH 8-9.5) 4.26 9.57 -3.67 1 1 0 12 285.406 6

Activity (Go SEA)

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