UCSF

ZINC36805322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 15 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) 2.37 7.26 -35.98 1 2 1 17 245.799 3
Mid Mid (pH 6-8) 2.37 5.01 -4.97 0 2 0 16 244.791 3

Activity (Go SEA)

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