UCSF

ZINC08171473

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 21 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) 2.84 7.76 -10.28 1 3 0 32 286.35 5
Lo Low (pH 4.5-6) 2.84 8.51 -25.11 2 3 0 34 287.358 5

Activity (Go SEA)

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