UCSF

ZINC09446494

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 3.81 5.75 -15.92 3 8 0 108 485.968 9
Hi High (pH 8-9.5) 3.79 6.17 -49.61 1 8 -1 107 484.96 9
Hi High (pH 8-9.5) 3.79 6.29 -57.59 1 8 -1 107 484.96 9
Hi High (pH 8-9.5) 3.81 6.69 -43.03 2 8 -1 111 484.96 9
Mid Mid (pH 6-8) 3.81 6.52 -53.55 2 8 -1 111 484.96 9

Activity (Go SEA)

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