UCSF

ZINC00742214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 3.05 9.01 -21.96 1 8 0 90 447.557 9
Hi High (pH 8-9.5) 2.87 7.93 -46.75 0 8 -1 96 446.549 9

Activity (Go SEA)

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