UCSF

ZINC16731714

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 2.98 8.27 -59.63 0 8 -1 97 466.51 12
Mid Mid (pH 6-8) 3.43 6.89 -30.89 1 8 0 95 467.518 11
Mid Mid (pH 6-8) 2.40 7.92 -24.23 0 8 0 91 467.518 12

Activity (Go SEA)

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