UCSF

ZINC35572445

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 24 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) 4.69 11.61 -51.05 2 2 1 26 322.403 7
Hi High (pH 8-9.5) 4.69 10.25 -6.84 1 2 0 21 321.395 7

Activity (Go SEA)

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