UCSF

ZINC20181807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 0.12 -0.03 -52.44 3 5 1 68 264.415 7
Mid Mid (pH 6-8) 0.12 2.31 -119.32 4 5 2 69 265.423 7

Activity (Go SEA)

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