UCSF

ZINC21581103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 3.36 10.35 -48.81 1 7 1 71 472.631 6
Hi High (pH 8-9.5) 3.36 8.43 -16.04 0 7 0 70 471.623 6

Activity (Go SEA)

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