UCSF

ZINC39838516

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2010 34 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) 5.81 14.05 -13.13 0 6 0 73 474.944 6
Mid Mid (pH 6-8) 5.81 14.45 -30.94 1 6 1 74 475.952 6

Activity (Go SEA)

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