UCSF

ZINC00517523

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 1.98 6.23 -7.64 0 8 0 86 312.333 2
Lo Low (pH 4.5-6) 1.98 7.03 -64.54 1 8 0 87 313.341 2

Activity (Go SEA)

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