UCSF

ZINC44684848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.00 6.38 -36.52 2 3 1 29 275.416 5
Hi High (pH 8-9.5) 3.00 5.63 -3.49 1 3 0 24 274.408 5
Mid Mid (pH 6-8) 3.00 8.03 -32.74 2 3 1 26 275.416 5

Activity (Go SEA)

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