UCSF

ZINC36154437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 4.08 9.19 -54.59 3 4 1 62 342.488 5
Hi High (pH 8-9.5) 4.54 6.85 -43.61 2 4 0 65 341.48 5
Hi High (pH 8-9.5) 4.08 7.83 -10.16 2 4 0 58 341.48 5

Activity (Go SEA)

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