UCSF

ZINC40191083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 4.69 11.44 -9.81 1 5 0 56 389.499 9
Mid Mid (pH 6-8) 4.69 11.95 -32.96 2 5 1 57 390.507 9

Activity (Go SEA)

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