UCSF

ZINC23135012

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 25 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) 3.83 7.77 -14.18 1 5 0 68 352.463 5
Hi High (pH 8-9.5) 3.90 6.86 -46.7 0 5 -1 74 351.455 5

Activity (Go SEA)

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