UCSF

ZINC33708014

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 3.36 9.51 -15.85 2 4 0 58 373.431 6
Lo Low (pH 4.5-6) 3.36 9.95 -49.8 3 4 1 59 374.439 6

Activity (Go SEA)

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