UCSF

ZINC36138307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.89 5.36 -43.32 0 6 -1 79 288.364 10
Lo Low (pH 4.5-6) 0.89 3.6 -6.6 1 6 0 76 289.372 10

Activity (Go SEA)

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