UCSF

ZINC42859895

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 2.15 5.98 -35.13 3 3 1 43 248.375 4
Hi High (pH 8-9.5) 2.15 4.2 -5.87 2 3 0 42 247.367 4

Activity (Go SEA)

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