UCSF

ZINC34602317

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) -0.13 12.79 -66.32 0 14 -1 164 471.454 8
Lo Low (pH 4.5-6) -0.13 10.81 -29.16 1 14 0 161 472.462 8

Activity (Go SEA)

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