UCSF

ZINC36677780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 13 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) -0.05 -1.65 -5.9 3 5 0 71 187.243 3
Mid Mid (pH 6-8) -0.05 0.36 -41.17 4 5 1 72 188.251 3

Activity (Go SEA)

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