UCSF

ZINC05154095

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 26 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) 2.97 -3.05 -12.26 1 5 0 66 374.437 3
Hi High (pH 8-9.5) 2.97 -2.47 -38.24 0 5 -1 68 373.429 3

Activity (Go SEA)

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