UCSF

ZINC37338060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 1.47 0.68 -10.59 2 5 0 70 265.309 3
Hi High (pH 8-9.5) 1.47 1.69 -52.88 1 5 -1 73 264.301 3
Hi High (pH 8-9.5) 1.47 1.46 -43.71 1 5 -1 73 264.301 3
Lo Low (pH 4.5-6) 1.47 2.81 -41.71 3 5 1 71 266.317 3

Activity (Go SEA)

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