UCSF

ZINC39885141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.32 11.71 -13.17 1 6 0 88 438.549 8
Hi High (pH 8-9.5) 5.51 10.17 -47.8 0 6 -1 95 437.541 8

Activity (Go SEA)

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