UCSF

ZINC36974380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 4.05 7.78 -6.8 2 3 0 41 280.371 4
Lo Low (pH 4.5-6) 4.05 7.85 -34.21 3 3 1 46 281.379 4

Activity (Go SEA)

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