UCSF

ZINC40187472

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) 3.49 10.21 -12.65 1 5 0 64 363.461 5
Mid Mid (pH 6-8) 3.49 10.75 -32.89 2 5 1 65 364.469 5

Activity (Go SEA)

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