UCSF

ZINC06786393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 1.58 6.51 -59.87 0 9 -1 129 371.325 7
Mid Mid (pH 6-8) 2.02 1.15 -24.8 1 9 0 125 372.333 6
Mid Mid (pH 6-8) 0.99 1.04 -17.82 0 9 0 122 372.333 7

Activity (Go SEA)

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