UCSF

ZINC20481348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 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) 3.87 5.37 -38.33 2 4 1 31 366.614 5
Hi High (pH 8-9.5) 3.87 5.34 -34.89 2 4 1 31 366.614 5
Mid Mid (pH 6-8) 3.87 7.62 -91.92 3 4 2 32 367.622 5

Activity (Go SEA)

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