UCSF

ZINC13831426

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 25 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) 3.48 7.27 -14.31 1 5 0 63 337.375 6
Hi High (pH 8-9.5) 3.48 8.07 -63.04 0 5 -1 66 336.367 6

Activity (Go SEA)

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