UCSF

ZINC42895748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.35 6.58 -45.78 1 5 -1 78 292.355 8
Lo Low (pH 4.5-6) 2.35 5.23 -13.87 2 5 0 76 293.363 8

Activity (Go SEA)

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