UCSF

ZINC37095155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.73 5.24 -89.89 5 4 2 69 208.309 5
Hi High (pH 8-9.5) 0.73 5.26 -30.48 4 4 1 67 207.301 5
Hi High (pH 8-9.5) 0.73 4.86 -35.13 4 4 1 68 207.301 5

Activity (Go SEA)

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