UCSF

ZINC37434971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 17 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) -3.03 -0.86 -47.85 3 8 -1 135 240.195 4
Hi High (pH 8-9.5) -2.58 -2.67 -92.18 2 8 -2 138 239.187 4

Activity (Go SEA)

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