UCSF

ZINC05752170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 27 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) 3.73 11.18 -34.66 2 4 1 51 368.497 5
Hi High (pH 8-9.5) 3.73 9.04 -7.11 1 4 0 50 367.489 5

Activity (Go SEA)

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