UCSF

ZINC36876296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.56 4.55 -49.25 4 3 1 56 236.726 3
Lo Low (pH 4.5-6) 1.56 4.89 -108.17 5 3 2 58 237.734 3
Lo Low (pH 4.5-6) 1.56 4.89 -108.37 5 3 2 58 237.734 3

Activity (Go SEA)

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