UCSF

ZINC34686912

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 6.44 -10.36 0 5 0 40 343.423 7
Lo Low (pH 4.5-6) 2.88 8.73 -40.14 1 5 1 41 344.431 7

Activity (Go SEA)

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