UCSF

ZINC40191073

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 No

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) 4.74 10.83 -10.2 1 5 0 56 377.488 7
Mid Mid (pH 6-8) 4.74 11.4 -32.87 2 5 1 57 378.496 7

Activity (Go SEA)

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