UCSF

ZINC38274347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 22 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) 4.07 9.51 -40.11 3 2 1 29 295.45 6
Lo Low (pH 4.5-6) 4.07 10.69 -127.41 4 2 2 33 296.458 6

Activity (Go SEA)

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