UCSF

ZINC37869668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.42 1.16 -38.86 4 6 1 87 269.321 7
Hi High (pH 8-9.5) 0.42 0.19 -9.87 3 6 0 83 268.313 7

Activity (Go SEA)

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