UCSF

ZINC45697014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.08 7.68 -27.85 1 4 0 48 264.369 8
Mid Mid (pH 6-8) 2.08 10.14 -82.69 2 4 1 49 265.377 8

Activity (Go SEA)

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