UCSF

ZINC21810507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) -0.78 0.3 -55.84 4 4 1 74 229.325 4
Hi High (pH 8-9.5) -0.78 -0.03 -10.61 3 4 0 72 228.317 4

Activity (Go SEA)

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