UCSF

ZINC45702876

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) 1.68 5.34 -42.43 3 5 1 72 259.37 11
Hi High (pH 8-9.5) 1.68 4.19 -9.65 2 5 0 67 258.362 11

Activity (Go SEA)

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