UCSF

ZINC37243450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) -1.29 -0.44 -89.71 6 6 2 90 260.382 8
Hi High (pH 8-9.5) -1.11 -1.72 -80.42 5 6 1 97 259.374 8
Hi High (pH 8-9.5) -1.11 -1.7 -78.2 5 6 1 97 259.374 8

Activity (Go SEA)

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