UCSF

ZINC34548842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 5.59 13.7 -42.51 1 5 1 35 441.599 7
Hi High (pH 8-9.5) 5.59 11.33 -10.88 0 5 0 34 440.591 7
Lo Low (pH 4.5-6) 5.59 14.4 -69.91 2 5 2 36 442.607 7

Activity (Go SEA)

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