UCSF

ZINC35648802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 2.18 6.85 -52.07 2 5 1 72 251.306 5
Hi High (pH 8-9.5) 2.18 5.49 -7.78 1 5 0 67 250.298 5

Activity (Go SEA)

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