UCSF

ZINC31910262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 2.72 7.05 -41.23 3 4 1 48 247.366 3
Mid Mid (pH 6-8) 2.72 7.45 -83.55 4 4 2 49 248.374 3
Mid Mid (pH 6-8) 2.72 5.14 -10.41 2 4 0 47 246.358 3

Activity (Go SEA)

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