UCSF

ZINC37794236

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.52 2.21 -74.06 3 8 -1 130 295.319 7
Lo Low (pH 4.5-6) -0.52 -0.08 -21.4 4 8 0 127 296.327 7

Activity (Go SEA)

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