UCSF

ZINC37039148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.60 1.57 -50.79 3 5 1 68 316.422 6
Mid Mid (pH 6-8) 0.60 3.78 -109.61 4 5 2 69 317.43 6

Activity (Go SEA)

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