UCSF

ZINC37078460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.14 5.09 -106.87 4 3 2 35 249.402 5
Hi High (pH 8-9.5) 1.14 4.71 -34.33 3 3 1 34 248.394 5
Mid Mid (pH 6-8) 1.14 4.48 -118.91 4 3 2 35 249.402 5
Mid Mid (pH 6-8) 1.14 2.56 -40.9 3 3 1 34 248.394 5
Mid Mid (pH 6-8) 1.14 1.93 -1.94 2 3 0 32 247.386 5
Mid Mid (pH 6-8) 1.14 3.99 -30.63 3 3 1 34 248.394 5

Activity (Go SEA)

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