UCSF

ZINC06696679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 29 Yes

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) 3.10 9.28 -57.93 1 7 -1 100 392.366 6
Mid Mid (pH 6-8) 3.10 10.6 -57.48 2 7 0 101 393.374 6

Activity (Go SEA)

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