UCSF

ZINC45654009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.34 8.27 -34.57 2 3 1 20 248.394 4
Hi High (pH 8-9.5) 3.34 5.92 -1.84 1 3 0 19 247.386 4
Mid Mid (pH 6-8) 3.34 8.51 -85.18 3 3 2 21 249.402 4

Activity (Go SEA)

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