UCSF

ZINC20551946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 16 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) 0.18 -3.87 -14.59 4 6 0 102 246.288 5
Hi High (pH 8-9.5) 0.18 -3.42 -45.58 3 6 -1 104 245.28 5

Activity (Go SEA)

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