UCSF

ZINC50523258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 18 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) -0.77 0.21 -129.53 6 6 2 92 253.302 5
Hi High (pH 8-9.5) -0.77 -1.12 -51.49 5 6 1 87 252.294 5
Hi High (pH 8-9.5) -0.77 -0.16 -47.24 5 6 1 90 252.294 5

Activity (Go SEA)

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