UCSF

ZINC00956758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.56 1.18 -38.72 2 7 1 86 447.511 6
Lo Low (pH 4.5-6) 3.56 1.3 -95.69 3 7 2 87 448.519 6

Activity (Go SEA)

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