UCSF

ZINC01514758

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 16 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) -0.70 -1.24 -14.25 4 7 0 110 223.236 4
Lo Low (pH 4.5-6) -0.70 -0.97 -34.17 5 7 1 111 224.244 4
Lo Low (pH 4.5-6) -0.70 -5.36 -34.24 5 7 1 111 224.244 4

Activity (Go SEA)

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