UCSF

ZINC14436360

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 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) 0.70 -4.2 -14.28 5 8 0 137 334.28 2
Hi High (pH 8-9.5) 0.70 -2.87 -51.66 4 8 -1 140 333.272 2
Hi High (pH 8-9.5) 0.70 -3.21 -52.98 4 8 -1 140 333.272 2

Activity (Go SEA)

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