UCSF

ZINC08779386

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.91 9 -53.8 2 7 1 81 445.923 8
Mid Mid (pH 6-8) 2.32 9.71 -60.82 1 7 1 77 445.923 8

Activity (Go SEA)

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