UCSF

ZINC28286385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 27 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) 3.93 12.69 -12.08 1 9 0 93 372.429 7
Lo Low (pH 4.5-6) 3.93 12.85 -30.8 2 9 1 94 373.437 7
Lo Low (pH 4.5-6) 3.93 13.02 -38.16 2 9 1 94 373.437 7

Activity (Go SEA)

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