UCSF

ZINC37244267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) -0.32 2.16 -8.31 1 5 0 73 197.238 4
Hi High (pH 8-9.5) -0.14 2.17 -42.23 0 5 -1 80 196.23 4

Activity (Go SEA)

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