UCSF

ZINC41541879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 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) 2.75 11.78 -70.33 1 8 0 111 421.453 7
Lo Low (pH 4.5-6) 2.75 11.02 -57.05 2 8 1 108 422.461 7

Activity (Go SEA)

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