UCSF

ZINC34383630

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 29 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) 0.46 3.27 -60.71 4 9 1 127 448.88 9
Hi High (pH 8-9.5) 0.91 1.23 -57.03 2 9 -1 129 446.864 9
Hi High (pH 8-9.5) 0.91 1.62 -84.77 3 9 0 130 447.872 9

Activity (Go SEA)

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