UCSF

ZINC19837129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 1.94 2.37 -11.92 1 4 0 44 254.717 1
Mid Mid (pH 6-8) 1.94 4.78 -48.81 2 4 1 45 255.725 1
Mid Mid (pH 6-8) 1.94 5.72 -70.35 1 4 0 48 254.717 1
Mid Mid (pH 6-8) 1.94 3.31 -50.8 0 4 -1 47 253.709 1

Activity (Go SEA)

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