UCSF

ZINC36677007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 4.03 8.48 -11.66 1 3 0 44 294.464 6
Mid Mid (pH 6-8) 3.87 8.14 -7.57 2 3 0 46 294.464 6

Activity (Go SEA)

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