UCSF

ZINC31910197

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.99 7.95 -44.37 3 5 1 51 316.473 4
Mid Mid (pH 6-8) 2.99 5.64 -10.05 2 5 0 50 315.465 4
Mid Mid (pH 6-8) 2.99 7.25 -38.92 3 5 1 51 316.473 4
Mid Mid (pH 6-8) 2.99 8.34 -75.78 4 5 2 52 317.481 4

Activity (Go SEA)

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