UCSF

ZINC31776301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 26 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) 1.15 2.42 -54.21 0 7 -1 103 415.9 5
Lo Low (pH 4.5-6) 1.15 2.36 -22.51 1 7 0 101 416.908 5

Activity (Go SEA)

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