UCSF

ZINC37051840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.39 1.88 -42.17 3 4 1 55 210.301 4
Hi High (pH 8-9.5) -0.39 0.51 -7.56 2 4 0 50 209.293 4

Activity (Go SEA)

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