UCSF

ZINC37996473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) -0.52 1.31 -76.25 4 5 0 97 216.281 6
Hi High (pH 8-9.5) -0.52 1.57 -59.17 3 5 -1 95 215.273 6
Lo Low (pH 4.5-6) -0.52 -0.45 -50.16 5 5 1 94 217.289 6

Activity (Go SEA)

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