UCSF

ZINC34690881

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 3.11 5.14 -47.93 2 8 1 89 426.522 8
Mid Mid (pH 6-8) 3.11 2.9 -14.07 1 8 0 88 425.514 8

Activity (Go SEA)

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