UCSF

ZINC20143041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 15 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) 1.42 4.17 -36.17 2 3 1 39 229.369 6
Hi High (pH 8-9.5) 1.42 2.86 -6.02 1 3 0 34 228.361 6

Activity (Go SEA)

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