UCSF

ZINC40181974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 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) 6.06 17.43 -16.29 0 5 0 47 481.64 9
Mid Mid (pH 6-8) 6.06 17.97 -44.24 1 5 1 49 482.648 9

Activity (Go SEA)

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