UCSF

ZINC21659890

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) 4.61 9.78 -11.56 1 4 0 47 338.451 8
Mid Mid (pH 6-8) 4.61 10.19 -28.93 2 4 1 49 339.459 8

Activity (Go SEA)

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