UCSF

ZINC20364357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 2.20 5.45 -44.8 3 4 1 55 265.377 7
Hi High (pH 8-9.5) 2.20 4.21 -12.18 2 4 0 50 264.369 7

Activity (Go SEA)

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