UCSF

ZINC26849194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 30 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) 5.80 7.8 -44.83 2 6 0 84 421.522 6
Hi High (pH 8-9.5) 5.80 7.4 -48.04 1 6 -1 82 420.514 6
Hi High (pH 8-9.5) 5.80 7.04 -17.67 2 6 0 80 421.522 6

Activity (Go SEA)

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