UCSF

ZINC40102522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 37 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) 3.30 7.6 -68.68 1 8 -1 108 502.543 12
Lo Low (pH 4.5-6) 3.30 6.84 -20.68 2 8 0 106 503.551 12

Activity (Go SEA)

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