UCSF

ZINC53126388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 2.65 3.78 -33.31 4 4 1 66 285.452 7
Hi High (pH 8-9.5) 2.65 2.82 -9.56 3 4 0 61 284.444 7

Activity (Go SEA)

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