UCSF

ZINC14643655

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 26 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) 1.95 2.16 -15.62 3 8 0 123 360.318 4
Hi High (pH 8-9.5) 1.95 3.15 -58.7 2 8 -1 125 359.31 4

Activity (Go SEA)

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