UCSF

ZINC31974156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 Yes

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) 0.81 4.81 -59.41 0 5 -1 70 222.249 2
Lo Low (pH 4.5-6) 0.81 5.22 -49.95 1 5 0 72 223.257 2

Activity (Go SEA)

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