UCSF

ZINC06368669

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 4.31 -2.18 -12.33 1 5 0 64 383.469 7
Hi High (pH 8-9.5) 4.31 -1.6 -44.68 0 5 -1 66 382.461 7

Activity (Go SEA)

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