UCSF

ZINC09410075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 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) 6.59 9.65 -11.09 2 5 0 67 455.341 6
Ref Reference (pH 7) 6.59 9.49 -12.43 2 5 0 67 455.341 6
Hi High (pH 8-9.5) 6.59 10.27 -55.88 1 5 -1 70 454.333 6
Hi High (pH 8-9.5) 6.59 10.41 -43.95 1 5 -1 70 454.333 6

Activity (Go SEA)

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