UCSF

ZINC05551395

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 No

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) 5.86 8.8 -14.58 1 6 0 91 394.239 3
Hi High (pH 8-9.5) 6.32 7.11 -41.77 0 6 -1 94 393.231 3

Activity (Go SEA)

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