UCSF

ZINC09548711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 29 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) 4.39 -6.52 -18.74 2 6 0 92 434.514 6
Hi High (pH 8-9.5) 4.39 -5.94 -60.2 1 6 -1 94 433.506 6
Hi High (pH 8-9.5) 4.39 -5.97 -53.52 1 6 -1 94 433.506 6
Hi High (pH 8-9.5) 4.39 -5.39 -121.31 0 6 -2 96 432.498 6

Activity (Go SEA)

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