UCSF

ZINC35389354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -0.95 0.23 -100.39 1 7 -2 118 251.242 4
Lo Low (pH 4.5-6) -1.40 2.09 -50.39 2 7 -1 115 252.25 4

Activity (Go SEA)

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