UCSF

ZINC35554921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 27 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) 4.44 11.28 -42.18 2 4 1 37 370.561 5
Mid Mid (pH 6-8) 4.44 9.11 -9.8 1 4 0 36 369.553 5

Activity (Go SEA)

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