UCSF

ZINC36267878

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 13 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) 0.78 3.59 -43.37 4 4 1 65 179.247 2
Hi High (pH 8-9.5) 0.78 3.24 -6.11 3 4 0 64 178.239 2
Lo Low (pH 4.5-6) 0.78 3.92 -92.28 5 4 2 67 180.255 2

Activity (Go SEA)

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