UCSF

ZINC45625937

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.46 3.03 -8.25 2 5 0 65 329.194 5
Mid Mid (pH 6-8) 1.46 5.31 -41.25 3 5 1 66 330.202 5

Activity (Go SEA)

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