UCSF

ZINC37238769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.94 5.04 -65.94 2 6 0 91 332.447 6
Hi High (pH 8-9.5) 1.94 4.62 -73.11 1 6 -1 93 331.439 6
Hi High (pH 8-9.5) 1.94 2.94 -46.25 1 6 -1 90 331.439 6

Activity (Go SEA)

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