UCSF

ZINC30942149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 3.91 12.13 -47.46 3 6 1 76 498.434 7
Lo Low (pH 4.5-6) 3.91 12.57 -94.32 4 6 2 77 499.442 7

Activity (Go SEA)

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