UCSF

ZINC42863683

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) 1.92 2.59 -60.11 3 5 1 62 371.28 5
Lo Low (pH 4.5-6) 1.92 4.27 -132.6 4 5 2 63 372.288 5

Activity (Go SEA)

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