UCSF

ZINC30871576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 27 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) 1.64 5.69 -21.85 2 7 0 96 387.461 5
Mid Mid (pH 6-8) 1.64 5.76 -54.21 1 7 -1 98 386.453 5

Activity (Go SEA)

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