UCSF

ZINC20267624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.82 8.15 -42.33 0 5 -1 63 407.393 6
Ref Reference (pH 7) 5.31 8.66 -11.05 1 5 0 64 408.401 5

Activity (Go SEA)

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