UCSF

ZINC40190742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 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) 4.11 11.64 -11.93 1 4 0 47 355.441 5
Mid Mid (pH 6-8) 4.11 12.1 -33.08 2 4 1 48 356.449 5

Activity (Go SEA)

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