UCSF

ZINC55270177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 27 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) 3.02 9.2 -13.83 0 5 0 41 368.525 5
Mid Mid (pH 6-8) 3.02 9.7 -30.46 1 5 1 43 369.533 5
Lo Low (pH 4.5-6) 3.02 12.16 -107.02 2 5 2 44 370.541 5

Activity (Go SEA)

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