UCSF

ZINC34791452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 34 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) 4.88 6.27 -17.71 1 8 0 105 494.598 9
Hi High (pH 8-9.5) 4.88 6.38 -43.98 0 8 -1 107 493.59 9

Activity (Go SEA)

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