UCSF

ZINC07844855

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 27 No

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) 4.32 10.41 -52.54 3 5 1 63 370.517 5
Mid Mid (pH 6-8) 4.32 8.26 -18.75 2 5 0 61 369.509 5

Activity (Go SEA)

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