UCSF

ZINC45696273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.30 3.8 -48.68 3 4 1 55 333.246 9
Hi High (pH 8-9.5) 2.30 2.59 -7.37 2 4 0 51 332.238 9

Activity (Go SEA)

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