UCSF

ZINC45663658

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.21 6.87 -111.75 4 3 2 35 364.397 9
Hi High (pH 8-9.5) 3.21 4.38 -43.8 3 3 1 34 363.389 9
Hi High (pH 8-9.5) 3.21 6.53 -38.62 3 3 1 34 363.389 9

Activity (Go SEA)

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