UCSF

ZINC36780169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) -0.60 2.5 -48.61 1 6 -1 90 213.213 4
Lo Low (pH 4.5-6) -0.60 0.5 -14.9 2 6 0 87 214.221 4

Activity (Go SEA)

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