UCSF

ZINC37980886

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) -0.55 -0.81 -50.12 2 6 1 68 227.288 5
Hi High (pH 8-9.5) -0.55 -2.17 -7.91 1 6 0 63 226.28 5
Lo Low (pH 4.5-6) -0.55 1.45 -128.43 3 6 2 69 228.296 5

Activity (Go SEA)

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