UCSF

ZINC37467673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 3.62 10.45 -111.35 3 2 2 21 276.468 8
Hi High (pH 8-9.5) 3.62 7.88 -0.86 1 2 0 15 274.452 8
Hi High (pH 8-9.5) 3.62 9.88 -29.14 2 2 1 16 275.46 8
Mid Mid (pH 6-8) 3.62 8.93 -32.94 2 2 1 20 275.46 8

Activity (Go SEA)

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