UCSF

ZINC09126136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 30 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) 3.69 -5.93 -16.62 2 7 0 101 454.476 7
Hi High (pH 8-9.5) 3.69 -5.37 -49.51 1 7 -1 103 453.468 7
Hi High (pH 8-9.5) 3.69 -5.35 -53.37 1 7 -1 103 453.468 7
Hi High (pH 8-9.5) 3.69 -4.79 -111.44 0 7 -2 105 452.46 7

Activity (Go SEA)

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