UCSF

ZINC42607192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) -0.24 3.51 -42.77 3 4 1 49 267.393 9
Hi High (pH 8-9.5) -0.24 2.88 -3.32 2 4 0 48 266.385 9
Lo Low (pH 4.5-6) -0.24 5.17 -112.15 4 4 2 51 268.401 9
Lo Low (pH 4.5-6) -0.24 6.24 -30.2 3 4 1 49 267.393 9

Activity (Go SEA)

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