UCSF

ZINC36805318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 4.09 9.19 -36.85 1 2 1 17 275.869 9
Mid Mid (pH 6-8) 4.09 7.08 -4.56 0 2 0 16 274.861 9

Activity (Go SEA)

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