UCSF

ZINC35633591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 2.13 5.68 -47.75 2 4 1 54 315.484 5
Hi High (pH 8-9.5) 2.13 4.55 -7.46 1 4 0 49 314.476 5

Activity (Go SEA)

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