UCSF

ZINC39676162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) -0.50 3.81 -57.11 4 8 1 112 384.46 3
Hi High (pH 8-9.5) -0.04 1.23 -71.42 3 8 0 115 383.452 3

Activity (Go SEA)

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