UCSF

ZINC42914338

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) 1.09 1.24 -44.26 4 4 1 54 296.41 6
Mid Mid (pH 6-8) 1.09 3.57 -105.19 5 4 2 56 297.418 6
Mid Mid (pH 6-8) 1.09 2.89 -127.16 5 4 2 56 297.418 6

Activity (Go SEA)

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