UCSF

ZINC07997621

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.12 8.38 -60.55 2 6 1 72 365.457 8
Hi High (pH 8-9.5) 3.12 6.06 -16.56 1 6 0 71 364.449 8

Activity (Go SEA)

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