UCSF

ZINC38000642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.25 5.77 -42.66 4 4 1 60 284.468 7
Hi High (pH 8-9.5) 2.25 3.6 -39.42 4 4 1 63 284.468 7
Hi High (pH 8-9.5) 2.25 3.7 -7.1 3 4 0 58 283.46 7
Lo Low (pH 4.5-6) 2.25 5.66 -115.77 5 4 2 64 285.476 7

Activity (Go SEA)

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