UCSF

ZINC52213003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 17 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) -2.03 4 -110.75 2 7 -2 121 242.231 6
Lo Low (pH 4.5-6) -2.03 2.03 -56.84 3 7 -1 119 243.239 6

Activity (Go SEA)

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