UCSF

ZINC37823678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -2.24 -0.58 -97.86 6 6 2 95 230.312 3
Hi High (pH 8-9.5) -2.24 -2.21 -48.41 5 6 1 94 229.304 3
Hi High (pH 8-9.5) -2.24 -2.53 -12.35 4 6 0 93 228.296 3
Hi High (pH 8-9.5) -2.24 -0.9 -42.01 5 6 1 94 229.304 3

Activity (Go SEA)

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