UCSF

ZINC36839641

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) -0.92 3.42 -31.64 3 5 0 86 212.249 7
Hi High (pH 8-9.5) -0.92 2.41 -50.26 2 5 -1 81 211.241 7

Activity (Go SEA)

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