UCSF

ZINC43913973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 1.29 2.27 -38.24 2 4 1 38 243.371 3
Lo Low (pH 4.5-6) 1.29 4.33 -113.15 3 4 2 40 244.379 3

Activity (Go SEA)

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