UCSF

ZINC36731831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) -0.10 0.32 -42.13 4 4 1 60 216.349 7
Mid Mid (pH 6-8) -0.10 1.99 -32.49 4 4 1 60 216.349 7

Activity (Go SEA)

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