UCSF

ZINC23970446

Substance Information

In ZINC since Heavy atoms Benign functionality
January 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) 4.21 11.55 -20.5 1 7 0 82 439.566 8
Hi High (pH 8-9.5) 4.40 10.48 -48.79 0 7 -1 88 438.558 8

Activity (Go SEA)

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