UCSF

ZINC41543033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.74 12.32 -67.53 1 6 0 74 503.368 7
Lo Low (pH 4.5-6) 3.74 11.57 -48.83 2 6 1 71 504.376 7

Activity (Go SEA)

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