UCSF

ZINC36881041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -1.91 4.37 -51.33 3 4 1 65 233.291 2
Hi High (pH 8-9.5) -1.91 4.04 -13.64 2 4 0 63 232.283 2

Activity (Go SEA)

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