UCSF

ZINC34948798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 6.25 12.3 -12.62 1 6 0 54 514.453 9
Mid Mid (pH 6-8) 6.25 14.57 -57.87 2 6 1 55 515.461 9

Activity (Go SEA)

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