UCSF

ZINC37046057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.87 6.27 -42.97 4 3 1 57 263.405 7
Hi High (pH 8-9.5) 2.87 5.97 -5.29 3 3 0 55 262.397 7

Activity (Go SEA)

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