UCSF

ZINC36950708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) -0.42 1.39 -41.05 3 5 1 74 233.313 6
Hi High (pH 8-9.5) -0.42 0.05 -6.81 2 5 0 70 232.305 6

Activity (Go SEA)

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