UCSF

ZINC09972521

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 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) 3.98 9.07 -24.79 1 6 0 84 379.441 6
Mid Mid (pH 6-8) 3.98 8.69 -46.76 0 6 -1 86 378.433 6

Activity (Go SEA)

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