UCSF

ZINC37039573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) -0.98 0.11 -89.59 4 4 2 45 189.303 5
Mid Mid (pH 6-8) -0.98 -2.2 -43.69 3 4 1 43 188.295 5

Activity (Go SEA)

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