UCSF

ZINC36906692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 2.09 4.96 -56.18 4 4 1 60 270.356 4
Hi High (pH 8-9.5) 2.09 4.56 -11.65 3 4 0 58 269.348 4

Activity (Go SEA)

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