UCSF

ZINC31416914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 33 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) -0.32 -6.34 -28.52 6 11 0 175 464.423 5
Hi High (pH 8-9.5) -0.32 -5.55 -68.42 5 11 -1 178 463.415 5

Activity (Go SEA)

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