UCSF

ZINC36543545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 30 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) 5.32 8.32 -11.99 2 6 0 83 426.9 6
Hi High (pH 8-9.5) 5.32 9.15 -58.05 1 6 -1 86 425.892 6

Activity (Go SEA)

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