UCSF

ZINC34691646

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 1.28 3.19 -17.55 1 8 0 75 481.609 11
Mid Mid (pH 6-8) 1.28 5.46 -56.37 2 8 1 76 482.617 11
Lo Low (pH 4.5-6) 1.28 7.77 -114.02 3 8 2 77 483.625 11

Activity (Go SEA)

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