UCSF

ZINC36327147

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 13 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) 0.92 2.16 -5.72 0 4 0 39 187.239 4
Lo Low (pH 4.5-6) 0.92 4.19 -33.94 1 4 1 40 188.247 4

Activity (Go SEA)

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