UCSF

ZINC36892184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.08 7.69 -48.53 1 5 -1 78 264.33 7
Lo Low (pH 4.5-6) 2.08 5.72 -12.12 2 5 0 75 265.338 7

Activity (Go SEA)

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