UCSF

ZINC42802433

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.29 8.83 -50.01 2 4 0 57 282.771 5
Hi High (pH 8-9.5) 3.29 6.68 -49.65 1 4 -1 55 281.763 5

Activity (Go SEA)

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