UCSF

ZINC37792014

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.50 6.6 -48.1 1 4 -1 69 222.264 5
Lo Low (pH 4.5-6) 1.50 5.03 -7.94 2 4 0 66 223.272 5

Activity (Go SEA)

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