UCSF

ZINC40064853

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 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) 4.82 8.97 -12.87 1 6 0 80 472.335 4
Hi High (pH 8-9.5) 4.82 9.89 -51.56 0 6 -1 83 471.327 4

Activity (Go SEA)

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