UCSF

ZINC09569497

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 30 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) 4.36 -6.08 -14.64 1 6 0 83 446.525 5
Hi High (pH 8-9.5) 4.36 -5.5 -52.59 0 6 -1 85 445.517 5

Activity (Go SEA)

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