UCSF

ZINC04310771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 30 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) 3.88 2.99 -43.34 2 5 1 62 415.46 7
Mid Mid (pH 6-8) 2.86 2.69 -45.35 1 5 1 58 415.46 8

Activity (Go SEA)

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