UCSF

ZINC36769025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

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) 1.56 2.41 -9.89 3 5 0 68 277.368 5
Mid Mid (pH 6-8) 1.56 4.67 -45.19 4 5 1 69 278.376 5

Activity (Go SEA)

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