UCSF

ZINC36087554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 23 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) 2.50 8.17 -56.92 1 6 -1 96 314.317 5
Lo Low (pH 4.5-6) 2.50 6.46 -23.94 2 6 0 93 315.325 5

Activity (Go SEA)

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