UCSF

ZINC39838492

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 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) 6.07 15.15 -11.39 0 6 0 73 494.934 4
Mid Mid (pH 6-8) 6.07 15.55 -32.5 1 6 1 74 495.942 4

Activity (Go SEA)

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