UCSF

ZINC37024827

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) 3.26 7.07 -57.64 4 3 1 57 348.264 5
Hi High (pH 8-9.5) 3.26 6.67 -11.35 3 3 0 55 347.256 5

Activity (Go SEA)

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