UCSF

ZINC36860868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -0.32 -1.65 -10.41 4 5 0 80 183.211 4
Mid Mid (pH 6-8) -0.76 -3.49 -51.11 4 5 1 78 184.219 4

Activity (Go SEA)

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