UCSF

ZINC39343752

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 14 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) 3.12 5.99 -3.05 1 1 0 12 191.249 0
Lo Low (pH 4.5-6) 3.12 6.64 -36.79 2 1 1 17 192.257 0

Activity (Go SEA)

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