UCSF

ZINC22510789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 23 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) 2.08 4.51 -11.48 1 7 0 87 321.377 6
Mid Mid (pH 6-8) 2.08 6.87 -55.53 2 7 1 89 322.385 6

Activity (Go SEA)

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