UCSF

ZINC70514846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 0.76 3.72 -28.93 3 5 1 59 287.424 12
Hi High (pH 8-9.5) 0.76 4.41 -3.58 2 5 0 54 286.416 12
Lo Low (pH 4.5-6) 0.76 4.95 -1.66 4 5 0 60 288.432 12

Activity (Go SEA)

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