UCSF

ZINC37786400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 4.27 7.58 -36.65 2 2 1 20 281.508 3
Lo Low (pH 4.5-6) 4.27 9.7 -103.98 3 2 2 21 282.516 3

Activity (Go SEA)

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