UCSF

ZINC01514521

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 28 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) 5.45 -3.59 -12.94 1 4 0 59 406.532 5
Hi High (pH 8-9.5) 5.45 -3.01 -48.48 0 4 -1 61 405.524 5

Activity (Go SEA)

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