UCSF

ZINC40181874

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.58 14.46 -18.73 0 6 0 57 469.585 9
Mid Mid (pH 6-8) 4.58 14.96 -44.31 1 6 1 58 470.593 9

Activity (Go SEA)

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