UCSF

ZINC19939856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 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) 5.46 8.14 -99.02 0 7 -2 110 446.271 3
Ref Reference (pH 7) 4.52 9.89 -95.12 0 7 -2 106 446.271 4
Mid Mid (pH 6-8) 5.01 9.96 -50.31 1 7 -1 107 447.279 3

Activity (Go SEA)

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