UCSF

ZINC45658682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.01 3.58 -89.95 4 5 2 53 275.437 9
Hi High (pH 8-9.5) 0.01 -0.01 -42.55 3 5 1 53 274.429 9
Hi High (pH 8-9.5) 0.01 2.05 -28.38 3 5 1 52 274.429 9
Mid Mid (pH 6-8) 0.01 2.41 -110.99 4 5 2 54 275.437 9

Activity (Go SEA)

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