UCSF

ZINC20358207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 28 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) 1.86 8.08 -51.77 2 7 1 71 397.528 2
Hi High (pH 8-9.5) 1.86 6.78 -9.26 1 7 0 66 396.52 2

Activity (Go SEA)

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