UCSF

ZINC41780473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.13 0.62 -16.52 3 6 0 87 279.271 5
Hi High (pH 8-9.5) 0.31 -2.05 -48.79 2 6 -1 94 278.263 5

Activity (Go SEA)

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