UCSF

ZINC21881823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 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) 2.32 9.39 -22.2 2 7 0 97 465.307 5
Hi High (pH 8-9.5) 3.23 8.34 -51.76 1 7 -1 100 464.299 5

Activity (Go SEA)

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