UCSF

ZINC37809275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.86 4.18 -55.62 4 4 1 68 285.367 6
Hi High (pH 8-9.5) 0.86 3.78 -11.29 3 4 0 67 284.359 6

Activity (Go SEA)

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