UCSF

ZINC21698335

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 No

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) 1.76 8.25 -43.5 3 7 1 77 409.51 8
Hi High (pH 8-9.5) 1.76 6.3 -9.5 2 7 0 76 408.502 8

Activity (Go SEA)

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