UCSF

ZINC27230656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 19 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) 1.42 -0.86 -7.1 0 6 0 65 328.166 3
Mid Mid (pH 6-8) 1.42 1.38 -37.73 1 6 1 66 329.174 3

Activity (Go SEA)

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