UCSF

ZINC10020666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 32 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) 5.72 -0.19 -22.81 0 4 0 46 502.492 8
Lo Low (pH 4.5-6) 5.72 -0.08 -55.16 1 4 1 47 503.5 8

Activity (Go SEA)

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