UCSF

ZINC13122692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.08 7 -18.87 2 6 0 86 351.435 4
Lo Low (pH 4.5-6) 3.08 7.45 -36.49 3 6 1 87 352.443 4

Activity (Go SEA)

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