UCSF

ZINC13827707

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 33 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) 2.60 8.97 -51.8 2 8 1 90 457.547 6
Hi High (pH 8-9.5) 2.60 7.44 -11.06 1 8 0 89 456.539 6

Activity (Go SEA)

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