UCSF

ZINC36769479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 Yes

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) 3.25 4.52 -44.63 3 3 1 40 257.442 8
Lo Low (pH 4.5-6) 3.25 6.42 -122.99 4 3 2 41 258.45 8

Activity (Go SEA)

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