UCSF

ZINC34891344

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 18 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) -1.20 -2.61 -56.13 7 6 1 112 251.31 7
Hi High (pH 8-9.5) -1.20 -3 -15.4 6 6 0 110 250.302 7

Activity (Go SEA)

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