UCSF

ZINC11821214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 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) 1.93 -2.67 -10.15 1 9 0 102 355.402 6
Lo Low (pH 4.5-6) 1.93 -2.55 -35.62 2 9 1 103 356.41 6

Activity (Go SEA)

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