UCSF

ZINC34686093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.74 4.99 -21.06 0 11 0 99 527.574 7
Lo Low (pH 4.5-6) 0.74 7.28 -62.63 1 11 1 100 528.582 7

Activity (Go SEA)

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