UCSF

ZINC43256511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.61 6.06 -52.1 3 2 1 37 344.712 4
Hi High (pH 8-9.5) 3.61 5.67 -2.89 2 2 0 35 343.704 4

Activity (Go SEA)

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