UCSF

ZINC49252548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 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) 1.70 4.41 -20.13 2 5 0 70 262.309 4
Hi High (pH 8-9.5) 1.70 5.42 -66.17 1 5 -1 72 261.301 4

Activity (Go SEA)

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