UCSF

ZINC36714932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 32 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) 5.08 9.68 -13.98 0 6 0 55 477.989 7
Mid Mid (pH 6-8) 5.08 11.87 -52.94 1 6 1 56 478.997 7

Activity (Go SEA)

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