UCSF

ZINC16731787

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 4.03 11.14 -59.4 0 9 -1 125 479.509 12
Mid Mid (pH 6-8) 4.48 10.05 -33.96 1 9 0 122 480.517 11
Mid Mid (pH 6-8) 3.45 11.03 -30.77 0 9 0 119 480.517 12

Activity (Go SEA)

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