UCSF

ZINC45781257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 24 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) 3.28 9.85 -50.25 2 3 1 34 331.386 4
Hi High (pH 8-9.5) 3.28 7.63 -8.72 1 3 0 32 330.378 4

Activity (Go SEA)

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