UCSF

ZINC06697752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 26 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) 3.35 -3.27 -10.76 1 5 0 66 372.49 4
Hi High (pH 8-9.5) 3.35 -2.8 -42.08 0 5 -1 68 371.482 4

Activity (Go SEA)

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