UCSF

ZINC37041732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.12 3.18 -43.32 3 5 1 66 254.354 2
Hi High (pH 8-9.5) -0.12 1.87 -13.92 2 5 0 61 253.346 2

Activity (Go SEA)

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