UCSF

ZINC19436194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 0.70 2.22 -36.31 4 3 1 55 196.299 2
Hi High (pH 8-9.5) -1.95 2.9 -10.55 4 3 0 55 195.291 2
Lo Low (pH 4.5-6) 0.70 4.06 -117.27 5 3 2 56 197.307 2

Activity (Go SEA)

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