UCSF

ZINC16805708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 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) 4.96 12.13 -38.89 0 6 -1 79 490.963 10
Mid Mid (pH 6-8) 5.41 11.14 -28.62 1 6 0 76 491.971 9
Mid Mid (pH 6-8) 4.38 12.1 -21.42 0 6 0 73 491.971 10

Activity (Go SEA)

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