UCSF

ZINC16896261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.95 13.03 -20.85 2 5 0 75 491.682 7
Hi High (pH 8-9.5) 8.34 11.79 -55.04 1 5 -1 78 490.674 7

Activity (Go SEA)

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