UCSF

ZINC52266629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 1.40 1.37 -42.91 2 4 -1 81 251.592 3
Hi High (pH 8-9.5) 1.40 2.55 -193.03 0 4 -3 86 249.576 3
Hi High (pH 8-9.5) 1.40 1.78 -123.99 1 4 -2 83 250.584 3

Activity (Go SEA)

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