UCSF

ZINC21933641

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 32 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) 1.77 8.07 -48.9 2 8 1 75 439.584 7
Hi High (pH 8-9.5) 1.77 5.76 -17.91 1 8 0 74 438.576 7
Mid Mid (pH 6-8) 1.77 8.09 -51.86 2 8 1 75 439.584 7

Activity (Go SEA)

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