UCSF

ZINC35888056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 37 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) 5.98 14.78 -67.94 1 5 1 43 505.654 10
Hi High (pH 8-9.5) 5.98 12.8 -15.12 0 5 0 42 504.646 10

Activity (Go SEA)

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