UCSF

ZINC26820104

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 21 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) -1.12 4.74 -108.24 4 7 0 115 294.286 5
Hi High (pH 8-9.5) -1.12 4.35 -62.81 3 7 -1 113 293.278 5

Activity (Go SEA)

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