UCSF

ZINC28200641

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 21 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) -0.67 1.94 -10.7 1 7 0 86 288.307 6
Lo Low (pH 4.5-6) -0.67 2.38 -45.29 2 7 1 87 289.315 6

Activity (Go SEA)

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