UCSF

ZINC36466520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 12 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) 0.96 6.01 -109.6 0 4 -2 80 170.164 4
Lo Low (pH 4.5-6) 0.96 4.03 -48.56 1 4 -1 77 171.172 4

Activity (Go SEA)

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