UCSF

ZINC36881604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.98 4.28 -12.94 1 4 0 55 331.743 8
Hi High (pH 8-9.5) 2.98 4.34 -43.99 0 4 -1 57 330.735 8

Activity (Go SEA)

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