UCSF

ZINC37794111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.04 3.74 -55.45 2 7 -1 108 279.272 7
Lo Low (pH 4.5-6) 0.04 1.76 -18.25 3 7 0 105 280.28 7

Activity (Go SEA)

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