UCSF

ZINC49113398

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 28 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) 4.35 13.32 -40.06 2 3 1 33 374.483 5
Hi High (pH 8-9.5) 4.35 11.5 -6.24 1 3 0 32 373.475 5
Lo Low (pH 4.5-6) 4.35 13.8 -88.5 3 3 2 34 375.491 5

Activity (Go SEA)

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