UCSF

ZINC36996409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 3.59 6.77 -35.79 2 2 1 20 225.4 6
Lo Low (pH 4.5-6) 3.59 9.01 -105.93 3 2 2 21 226.408 6

Activity (Go SEA)

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