UCSF

ZINC37869337

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 2.30 4 -41.15 4 4 1 69 273.356 5
Hi High (pH 8-9.5) 2.30 3.11 -9.21 3 4 0 64 272.348 5

Activity (Go SEA)

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