UCSF

ZINC11361448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2007 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) 2.16 -4.86 -26.55 3 8 0 118 399.428 6
Hi High (pH 8-9.5) 2.16 -4.29 -54.96 2 8 -1 120 398.42 6

Activity (Go SEA)

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