UCSF

ZINC23874321

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 26 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) 2.05 9.47 -22.15 1 7 0 78 364.434 4
Hi High (pH 8-9.5) 2.12 8.42 -48.77 0 7 -1 84 363.426 4

Activity (Go SEA)

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