UCSF

ZINC31910122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.90 3.63 -10.61 2 5 0 56 274.368 3
Mid Mid (pH 6-8) 1.90 4.09 -27.03 3 5 1 57 275.376 3
Lo Low (pH 4.5-6) 1.90 6.42 -90.3 4 5 2 58 276.384 3

Activity (Go SEA)

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