UCSF

ZINC34689835

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 27 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) 5.69 12.11 -14.61 1 4 0 45 420.365 6
Lo Low (pH 4.5-6) 5.69 12.44 -31.7 2 4 1 46 421.373 6

Activity (Go SEA)

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