UCSF

ZINC36181905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.97 9.17 -8.49 1 4 0 49 303.381 6
Mid Mid (pH 6-8) 3.97 9.22 -9.12 1 4 0 49 303.381 6

Activity (Go SEA)

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