UCSF

ZINC49248784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) -1.04 -1.05 -22.04 3 7 0 105 233.231 3
Hi High (pH 8-9.5) -1.04 -1.18 -52.44 2 7 -1 103 232.223 3

Activity (Go SEA)

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