UCSF

ZINC15919910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 3.36 6.04 -57.09 1 5 -1 81 480.132 5
Mid Mid (pH 6-8) 3.81 4.95 -30.01 2 5 0 78 481.14 4
Mid Mid (pH 6-8) 2.78 5.97 -21.75 1 5 0 75 481.14 5

Activity (Go SEA)

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