UCSF

ZINC03985008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.78 -1.51 -11.36 1 9 0 112 384.392 6
Mid Mid (pH 6-8) 0.78 -0.6 -38.1 2 9 1 113 385.4 6

Activity (Go SEA)

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