UCSF

ZINC36856705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) -0.06 7.89 -36.8 1 6 0 70 344.209 4
Mid Mid (pH 6-8) -0.06 5.75 -47.46 0 6 -1 69 343.201 4

Activity (Go SEA)

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