UCSF

ZINC23071729

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) 0.24 3.45 -48.98 3 4 1 49 265.377 6
Hi High (pH 8-9.5) 0.24 3.18 -4.03 2 4 0 48 264.369 6
Lo Low (pH 4.5-6) 0.24 5.43 -138.93 4 4 2 51 266.385 6

Activity (Go SEA)

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