UCSF

ZINC37023704

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) 1.14 5.65 -87.26 4 4 2 50 253.39 2
Hi High (pH 8-9.5) 1.14 4.28 -38.45 3 4 1 46 252.382 2

Activity (Go SEA)

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