UCSF

ZINC39247430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 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) 0.83 4.05 -35.35 1 4 1 50 192.242 4
Hi High (pH 8-9.5) 0.83 1.59 -9.14 0 4 0 49 191.234 4

Activity (Go SEA)

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