UCSF

ZINC26842374

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 36 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) 3.83 12.26 -67.72 1 7 0 83 486.568 8
Hi High (pH 8-9.5) 3.83 10.04 -61.38 0 7 -1 82 485.56 8
Lo Low (pH 4.5-6) 3.83 11.45 -49.37 2 7 1 81 487.576 8

Activity (Go SEA)

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