UCSF

ZINC34673825

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 1.55 5.73 -48.37 3 5 1 81 288.371 6
Hi High (pH 8-9.5) 1.55 3.51 -11.38 2 5 0 79 287.363 6

Activity (Go SEA)

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