UCSF

ZINC43285390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 15 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) 0.10 -0.33 -46.91 5 4 1 74 293.21 5
Hi High (pH 8-9.5) 0.10 -1.3 -8.66 4 4 0 72 292.202 5

Activity (Go SEA)

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