UCSF

ZINC40079458

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 No

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) 6.30 12.83 -57.94 0 6 -1 79 478.609 12
Lo Low (pH 4.5-6) 6.30 12.04 -12.33 1 6 0 76 479.617 12

Activity (Go SEA)

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