UCSF

ZINC21584265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 3.41 8.11 -41.22 2 3 1 34 346.314 5
Mid Mid (pH 6-8) 3.41 5.86 -8.98 1 3 0 32 345.306 5

Activity (Go SEA)

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