UCSF

ZINC32902732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 1.46 5.24 -42.17 3 6 1 77 340.831 7
Hi High (pH 8-9.5) 1.46 3.02 -12.48 2 6 0 76 339.823 7
Lo Low (pH 4.5-6) 1.46 4.93 -39.82 3 6 1 77 340.831 7
Lo Low (pH 4.5-6) 1.46 7.16 -117.92 4 6 2 78 341.839 7

Activity (Go SEA)

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