UCSF

ZINC39973461

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) 1.86 9.4 -14.27 1 8 0 99 395.51 9
Hi High (pH 8-9.5) 2.05 7.97 -41.81 0 8 -1 105 394.502 9

Activity (Go SEA)

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