UCSF

ZINC36887730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 1.01 5.28 -38 4 5 1 66 281.355 3
Mid Mid (pH 6-8) 1.01 3.14 -5.34 3 5 0 65 280.347 3

Activity (Go SEA)

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