UCSF

ZINC34686911

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 25 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) 2.88 6.61 -10.58 0 5 0 40 343.423 7
Lo Low (pH 4.5-6) 2.88 8.9 -40.61 1 5 1 41 344.431 7

Activity (Go SEA)

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