UCSF

ZINC36749226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 1.26 6.51 -47.07 2 7 1 80 256.33 7
Hi High (pH 8-9.5) 1.26 4.37 -6.8 1 7 0 79 255.322 7

Activity (Go SEA)

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