UCSF

ZINC44610943

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) -0.40 2.21 -41.38 2 5 1 53 283.421 4
Hi High (pH 8-9.5) -0.40 0.85 -7.89 1 5 0 48 282.413 4

Activity (Go SEA)

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