UCSF

ZINC09334410

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 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) 2.70 9.56 -62.79 0 10 -1 131 497.505 9
Mid Mid (pH 6-8) 3.15 8.76 -24.54 1 10 0 128 498.513 8
Mid Mid (pH 6-8) 2.12 1.53 -17.43 0 10 0 125 498.513 9

Activity (Go SEA)

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