UCSF

ZINC31911303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) -0.99 2.7 -47.31 3 4 1 54 192.242 3
Mid Mid (pH 6-8) -0.99 2.28 -8.87 2 4 0 53 191.234 3
Lo Low (pH 4.5-6) -0.99 3.16 -101.75 4 4 2 55 193.25 3

Activity (Go SEA)

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