UCSF

ZINC34929810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.02 9.53 -12.02 2 6 0 65 460.553 7
Mid Mid (pH 6-8) 4.02 11.74 -52.49 3 6 1 66 461.561 7

Activity (Go SEA)

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