UCSF

ZINC22672092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 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) 3.79 12.48 -43.88 2 5 1 53 391.539 9
Hi High (pH 8-9.5) 3.79 10.29 -14.65 1 5 0 52 390.531 9

Activity (Go SEA)

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