UCSF

ZINC33979276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 35 No

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) -4.89 -8.26 -148.48 5 18 -2 279 546.271 8
Hi High (pH 8-9.5) -4.89 -6.64 -217.13 4 18 -3 282 545.263 8

Activity (Go SEA)

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