UCSF

ZINC27888052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 26 No

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) -3.70 -8.71 -153.75 5 14 -2 226 392.217 5
Hi High (pH 8-9.5) -3.25 -10.71 -212.57 4 14 -3 229 391.209 5
Mid Mid (pH 6-8) -3.70 -9.85 -61.56 6 14 -1 223 393.225 5

Activity (Go SEA)

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