UCSF

ZINC40181193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 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) 4.01 13 -12.93 0 6 0 60 462.981 9
Mid Mid (pH 6-8) 4.01 13.92 -39.71 1 6 1 62 463.989 9

Activity (Go SEA)

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