UCSF

ZINC35609549

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 20 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) -0.30 -5.44 -11.4 4 7 0 107 301.368 4
Hi High (pH 8-9.5) -0.30 -4.68 -44.17 3 7 -1 110 300.36 4
Lo Low (pH 4.5-6) -0.30 -3.13 -43.82 5 7 1 108 302.376 4

Activity (Go SEA)

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