UCSF

ZINC27181810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 19 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) -0.63 2.08 -311.42 10 4 4 87 276.513 12
Hi High (pH 8-9.5) -0.63 0.51 -187.09 9 4 3 86 275.505 12

Activity (Go SEA)

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