UCSF

ZINC19788158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 16 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) 2.34 4.7 -10.26 3 4 0 60 235.312 3
Mid Mid (pH 6-8) 2.34 4.51 -52.71 4 4 1 62 236.32 3

Activity (Go SEA)

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