UCSF

ZINC04088057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.23 11.27 -14.51 1 6 0 85 409.492 5
Hi High (pH 8-9.5) 4.30 9.63 -57.22 0 6 -1 91 408.484 5

Activity (Go SEA)

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