UCSF

ZINC36867683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -1.44 -3.27 -16.11 3 8 0 125 260.275 2
Mid Mid (pH 6-8) -0.98 -4.94 -41.86 2 8 -1 128 259.267 2

Activity (Go SEA)

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