UCSF

ZINC45688270

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) -0.50 0.21 -12.43 5 7 0 120 252.274 7
Lo Low (pH 4.5-6) -0.50 0.57 -33.25 6 7 1 122 253.282 7

Activity (Go SEA)

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