UCSF

ZINC40102961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 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) 6.13 12.75 -62.88 0 6 -1 79 504.99 10
Lo Low (pH 4.5-6) 6.13 11.99 -16.41 1 6 0 76 505.998 10

Activity (Go SEA)

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