UCSF

ZINC37020072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.39 4.38 -57.48 4 5 1 73 271.344 4
Hi High (pH 8-9.5) 1.39 3.98 -10.88 3 5 0 71 270.336 4
Lo Low (pH 4.5-6) 1.39 4.73 -88.76 5 5 2 74 272.352 4

Activity (Go SEA)

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