UCSF

ZINC09209388

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 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) -0.66 7.2 -26.63 1 12 0 152 394.34 8
Hi High (pH 8-9.5) -0.21 5.14 -62.14 0 12 -1 155 393.332 8

Activity (Go SEA)

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