UCSF

ZINC36135538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 0.07 1.26 -8.36 2 4 0 53 230.333 2
Mid Mid (pH 6-8) 0.07 2.32 -39.43 3 4 1 57 231.341 2

Activity (Go SEA)

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