UCSF

ZINC39709700

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 31 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) 5.75 8.82 -14.41 1 6 0 77 431.517 7
Hi High (pH 8-9.5) 5.82 6.65 -49.2 0 6 -1 84 430.509 7

Activity (Go SEA)

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