UCSF

ZINC34824824

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.27 9.02 -45.27 2 3 1 33 270.4 4
Hi High (pH 8-9.5) 3.27 8.22 -5.8 1 3 0 28 269.392 4
Mid Mid (pH 6-8) 3.27 9.5 -94.28 3 3 2 34 271.408 4

Activity (Go SEA)

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