UCSF

ZINC19875415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 0.44 3.13 -55.09 4 4 1 69 219.264 6
Mid Mid (pH 6-8) 0.44 1.69 -16.24 3 4 0 64 218.256 6

Activity (Go SEA)

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