UCSF

ZINC41728859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.81 9.14 -43.6 3 2 1 33 309.405 3
Hi High (pH 8-9.5) 1.81 8.83 -6.65 2 2 0 31 308.397 3

Activity (Go SEA)

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