UCSF

ZINC37825017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 1.24 5.22 -47.69 2 4 1 37 272.438 5
Mid Mid (pH 6-8) 1.24 6.56 -104.42 3 4 2 41 273.446 5

Activity (Go SEA)

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