UCSF

ZINC30579784

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 23 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) 3.45 7.12 -9.77 1 5 0 68 346.481 3
Hi High (pH 8-9.5) 3.51 6.02 -42.81 0 5 -1 74 345.473 3

Activity (Go SEA)

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