UCSF

ZINC42765156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 No

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) 4.86 6.27 -42.57 4 3 1 57 294.459 11
Hi High (pH 8-9.5) 4.86 5.94 -5.42 3 3 0 55 293.451 11

Activity (Go SEA)

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