UCSF

ZINC53157517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.14 4.7 -53.38 3 4 1 55 320.812 10
Hi High (pH 8-9.5) 2.14 3.28 -9.05 2 4 0 51 319.804 10

Activity (Go SEA)

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