UCSF

ZINC42879270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.45 4.35 -44.16 3 4 1 55 264.345 3
Hi High (pH 8-9.5) 3.45 5.01 -30.86 2 4 0 58 263.337 3

Activity (Go SEA)

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