UCSF

ZINC37338409

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 0.93 -10.61 2 5 0 70 265.309 4
Hi High (pH 8-9.5) 1.64 1.94 -52.75 1 5 -1 73 264.301 4
Hi High (pH 8-9.5) 1.64 1.71 -43.71 1 5 -1 73 264.301 4
Lo Low (pH 4.5-6) 1.64 3.13 -45.77 3 5 1 71 266.317 4

Activity (Go SEA)

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