UCSF

ZINC37822223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.31 5.16 -45.02 3 4 1 61 264.393 7
Hi High (pH 8-9.5) 1.31 4.85 -6.16 2 4 0 59 263.385 7
Lo Low (pH 4.5-6) 1.31 5.63 -88.75 4 4 2 62 265.401 7

Activity (Go SEA)

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