UCSF

ZINC36877068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.75 2.6 -46.07 4 4 1 69 217.296 3
Hi High (pH 8-9.5) -0.75 2.29 -8.02 3 4 0 68 216.288 3
Lo Low (pH 4.5-6) -0.75 3.47 -117.62 5 4 2 70 218.304 3

Activity (Go SEA)

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