UCSF

ZINC40051062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 No

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) 2.76 8.2 -13.79 1 10 0 117 434.493 9
Mid Mid (pH 6-8) 2.76 8.16 -46.19 2 10 1 118 435.501 9

Activity (Go SEA)

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