UCSF

ZINC46059657

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 27 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) 4.03 9.14 -21.12 2 6 0 80 401.875 6
Hi High (pH 8-9.5) 4.22 6.55 -46.56 1 6 -1 87 400.867 6

Activity (Go SEA)

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