UCSF

ZINC19479799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 Yes

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) 2.07 6.91 -38.3 2 3 1 37 247.362 3
Hi High (pH 8-9.5) 2.07 5.66 -7.12 1 3 0 32 246.354 3

Activity (Go SEA)

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