UCSF

ZINC34405097

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 25 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) 3.97 9.9 -6.56 0 2 0 16 326.443 2
Mid Mid (pH 6-8) 3.97 10.6 -31.87 1 2 1 17 327.451 2

Activity (Go SEA)

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