UCSF

ZINC42915672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.59 2.8 -42.29 3 4 1 49 299.41 9
Mid Mid (pH 6-8) 1.59 4.52 -105.37 4 4 2 51 300.418 9

Activity (Go SEA)

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