UCSF

ZINC45696003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.52 3.66 -38 3 3 1 46 260.304 7
Hi High (pH 8-9.5) 1.52 2.4 -5.38 2 3 0 41 259.296 7

Activity (Go SEA)

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