UCSF

ZINC36164351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.11 4.38 -14.76 1 5 0 62 244.298 3
Lo Low (pH 4.5-6) -0.11 4.8 -38.7 2 5 1 63 245.306 3

Activity (Go SEA)

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