UCSF

ZINC06088692

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 33 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) 2.95 -4.09 -21.16 2 10 0 124 491.595 10
Hi High (pH 8-9.5) 2.95 -3.51 -45.24 1 10 -1 126 490.587 10

Activity (Go SEA)

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