UCSF

ZINC37340056

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) 1.64 0.66 -10.24 2 5 0 70 265.309 4
Hi High (pH 8-9.5) 1.64 1.67 -52.76 1 5 -1 73 264.301 4
Hi High (pH 8-9.5) 1.64 1.43 -43.52 1 5 -1 73 264.301 4
Lo Low (pH 4.5-6) 1.64 2.71 -41.61 3 5 1 71 266.317 4

Activity (Go SEA)

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