UCSF

ZINC62690536

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 26 Yes

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) 3.66 9.34 -8.72 0 4 0 33 352.478 6
Mid Mid (pH 6-8) 3.66 11.41 -43.77 1 4 1 34 353.486 6

Activity (Go SEA)

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