UCSF

ZINC15919958

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 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) 1.84 5.86 -52.11 1 8 -1 126 385.327 6
Mid Mid (pH 6-8) 2.29 4.81 -27.36 2 8 0 124 386.335 5
Mid Mid (pH 6-8) 1.26 5.78 -19.79 1 8 0 121 386.335 6

Activity (Go SEA)

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