UCSF

ZINC36300983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 1.49 5.61 -50.33 3 5 1 63 310.805 4
Hi High (pH 8-9.5) 1.49 4.75 -56.39 3 5 1 66 310.805 4
Mid Mid (pH 6-8) 1.49 6.95 -122.66 4 5 2 67 311.813 4

Activity (Go SEA)

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