UCSF

ZINC16730983

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 2.84 7.77 -56.82 0 9 -1 108 511.526 10
Mid Mid (pH 6-8) 3.29 8.99 -66.1 2 9 1 107 513.542 9
Mid Mid (pH 6-8) 2.26 9.97 -66.7 1 9 1 104 513.542 10
Mid Mid (pH 6-8) 2.84 10.1 -75.04 1 9 0 110 512.534 10

Activity (Go SEA)

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