UCSF

ZINC31920706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 5.07 10.5 -8.62 0 2 0 17 311.599 2
Lo Low (pH 4.5-6) 5.07 10.91 -33.14 1 2 1 19 312.607 2

Activity (Go SEA)

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