UCSF

ZINC36614598

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 27 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) 2.47 4.32 -13.2 0 6 0 58 422.86 5
Mid Mid (pH 6-8) 2.47 6.47 -54.3 1 6 1 60 423.868 5

Activity (Go SEA)

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