UCSF

ZINC25369770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 21 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) 3.96 9.92 -41.95 2 3 1 29 298.435 5
Mid Mid (pH 6-8) 3.96 8.08 -7.24 1 3 0 28 297.427 5

Activity (Go SEA)

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