UCSF

ZINC09358145

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 31 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) 2.75 8.66 -54.24 0 9 -1 125 425.417 9
Mid Mid (pH 6-8) 3.20 7.57 -29.22 1 9 0 122 426.425 8
Mid Mid (pH 6-8) 2.17 8.61 -21.11 0 9 0 119 426.425 9

Activity (Go SEA)

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