UCSF

ZINC37081390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.92 6.17 -58.46 1 5 0 62 235.287 4
Hi High (pH 8-9.5) 0.92 6.05 -54.19 0 5 -1 61 234.279 4

Activity (Go SEA)

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