UCSF

ZINC55041925

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 1.97 4.75 -11.89 1 7 0 74 409.465 7
Lo Low (pH 4.5-6) 1.97 7.48 -86.19 3 7 2 77 411.481 7

Activity (Go SEA)

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