UCSF

ZINC22315242

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 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) 1.98 6.01 -14.71 0 7 0 73 415.972 6
Mid Mid (pH 6-8) 1.98 8.01 -54.94 1 7 1 74 416.98 6

Activity (Go SEA)

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