UCSF

ZINC13625068

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 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) 4.73 10.55 -53.8 2 7 1 86 471.618 6
Mid Mid (pH 6-8) 4.73 12.33 -62.84 2 7 1 82 471.618 6

Activity (Go SEA)

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