UCSF

ZINC19963528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 3.81 9.39 -43.29 2 2 1 26 286.37 5
Hi High (pH 8-9.5) 3.81 8.26 -5.13 1 2 0 21 285.362 5

Activity (Go SEA)

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