UCSF

ZINC05690190

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 29 No

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) 2.86 8.09 -13.86 2 7 0 93 392.459 7
Hi High (pH 8-9.5) 3.77 6.72 -52.09 1 7 -1 99 391.451 7
Hi High (pH 8-9.5) 3.77 5.78 -46.82 1 7 -1 99 391.451 7

Activity (Go SEA)

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