UCSF

ZINC28346405

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 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) 4.64 6.59 -56.59 0 5 -1 75 368.203 2
Lo Low (pH 4.5-6) 4.18 7.65 -26.12 1 5 0 72 369.211 2

Activity (Go SEA)

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