UCSF

ZINC36239618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.04 11.57 -50.43 2 4 1 37 369.92 3
Lo Low (pH 4.5-6) 4.04 11.56 -84.37 3 4 2 38 370.928 3

Activity (Go SEA)

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