UCSF

ZINC43983008

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 4.09 6.52 -37.6 2 2 1 20 281.386 10
Hi High (pH 8-9.5) 4.08 5.64 -2.26 1 2 0 15 280.378 10
Lo Low (pH 4.5-6) 4.09 8.63 -105.63 3 2 2 21 282.394 10

Activity (Go SEA)

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