UCSF

ZINC37080958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.40 8.63 -115.34 4 2 2 32 268.404 5
Hi High (pH 8-9.5) 1.40 7.51 -38.43 3 2 1 31 267.396 5
Hi High (pH 8-9.5) 1.40 7.37 -1.69 2 2 0 29 266.388 5
Mid Mid (pH 6-8) 1.40 8.28 -32 3 2 1 30 267.396 5

Activity (Go SEA)

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