UCSF

ZINC09569486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 32 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) 4.14 -6.3 -19.39 1 9 0 129 473.532 6
Hi High (pH 8-9.5) 4.14 -5.73 -52.27 0 9 -1 131 472.524 6

Activity (Go SEA)

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