UCSF

ZINC35221840

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) -0.56 0.8 -15.68 1 6 0 62 266.345 4
Lo Low (pH 4.5-6) -0.56 3.09 -51.36 2 6 1 63 267.353 4

Activity (Go SEA)

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