UCSF

ZINC45687379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.28 6.88 -55.18 2 5 1 61 347.229 9
Hi High (pH 8-9.5) 2.28 5.52 -8.76 1 5 0 57 346.221 9

Activity (Go SEA)

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