UCSF

ZINC40078469

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 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) 1.84 5.51 -62.52 1 8 -1 112 439.488 12
Lo Low (pH 4.5-6) 1.84 4.76 -17.99 2 8 0 109 440.496 12

Activity (Go SEA)

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