UCSF

ZINC37040827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.12 2.45 -50.19 5 5 1 86 287.339 5
Hi High (pH 8-9.5) 1.12 2.15 -10.42 4 5 0 85 286.331 5

Activity (Go SEA)

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