UCSF

ZINC16731308

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 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) 3.87 9.77 -52.18 0 8 -1 97 500.543 13
Mid Mid (pH 6-8) 4.31 7.89 -32.94 1 8 0 95 501.551 12
Mid Mid (pH 6-8) 3.28 8.88 -30.29 0 8 0 91 501.551 13

Activity (Go SEA)

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