UCSF

ZINC34478406

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 2.38 5.25 -27.75 5 4 1 79 301.111 0
Hi High (pH 8-9.5) 2.38 4.77 -7.03 4 4 0 78 300.103 0

Activity (Go SEA)

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