UCSF

ZINC45624298

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.20 6 -11.33 2 4 0 59 334.217 4
Lo Low (pH 4.5-6) 1.20 6.46 -39.9 3 4 1 60 335.225 4

Activity (Go SEA)

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