UCSF

ZINC42782434

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.26 5.46 -42.26 2 5 1 54 314.475 8
Hi High (pH 8-9.5) 2.26 2.98 -8.56 1 5 0 53 313.467 8

Activity (Go SEA)

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