UCSF

ZINC34391770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 8.93 16.72 -4.11 2 2 0 35 429.733 12
Lo Low (pH 4.5-6) 8.93 16.6 -40.81 3 2 1 37 430.741 12

Activity (Go SEA)

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