UCSF

ZINC06777954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 4.42 11.12 -11.95 2 7 0 89 378.432 6
Hi High (pH 8-9.5) 4.60 11.19 -43.91 1 7 -1 91 377.424 6
Hi High (pH 8-9.5) 4.42 12.11 -47.28 1 7 -1 92 377.424 6
Lo Low (pH 4.5-6) 3.59 9.95 -47.02 2 7 -1 95 377.424 4

Activity (Go SEA)

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