UCSF

ZINC04369332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 31 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) 3.35 -2.86 -15.19 3 7 0 86 417.513 6
Lo Low (pH 4.5-6) 3.35 -2.75 -41.75 4 7 1 87 418.521 6

Activity (Go SEA)

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