UCSF

ZINC22055603

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) -3.30 -5.12 -213.67 3 10 -3 182 285.121 4
Mid Mid (pH 6-8) -3.30 -7.38 -116.29 4 10 -2 180 286.129 4
Mid Mid (pH 6-8) -3.30 -6.28 -103.78 4 10 -2 180 286.129 4

Activity (Go SEA)

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