UCSF

ZINC06784535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 5.12 5.14 -44.83 1 5 -1 81 399.517 6
Hi High (pH 8-9.5) 5.05 -3.81 -46.52 1 5 -1 77 399.517 6
Lo Low (pH 4.5-6) 5.12 5.1 -13.49 2 5 0 79 400.525 6

Activity (Go SEA)

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