UCSF

ZINC37220336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.28 5.4 -34.47 2 4 1 42 291.444 6
Hi High (pH 8-9.5) 2.28 3.39 -8.8 1 4 0 41 290.436 6
Mid Mid (pH 6-8) 2.28 4.55 -38.92 2 4 1 46 291.444 6
Mid Mid (pH 6-8) 2.28 6.68 -107.94 3 4 2 47 292.452 6

Activity (Go SEA)

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