UCSF

ZINC35643838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 No

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) 2.07 3.16 -50.87 3 8 0 116 407.426 3
Hi High (pH 8-9.5) 2.07 3.74 -53.47 2 8 0 119 406.418 3
Hi High (pH 8-9.5) 2.07 1.86 -52.47 3 8 0 114 407.426 3
Mid Mid (pH 6-8) 2.07 4.62 -43.24 4 8 0 121 408.434 3
Mid Mid (pH 6-8) 2.07 3.31 -67.39 4 8 1 118 408.434 3

Activity (Go SEA)

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