UCSF

ZINC13483460

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 31 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) 4.25 10.96 -16.73 1 5 0 50 414.484 4
Mid Mid (pH 6-8) 4.25 11.39 -32.96 2 5 1 51 415.492 4

Activity (Go SEA)

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