UCSF

ZINC37414414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 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) 2.24 3.73 -56.29 2 3 1 51 246.396 3
Hi High (pH 8-9.5) 2.24 2.93 -9.83 1 3 0 46 245.388 3

Activity (Go SEA)

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