UCSF

ZINC37336488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.51 4.5 -38.28 3 4 1 62 252.334 6
Hi High (pH 8-9.5) 2.51 3.89 -53.65 1 4 -1 64 250.318 6
Mid Mid (pH 6-8) 2.51 5.51 -53.46 2 4 0 65 251.326 6
Mid Mid (pH 6-8) 2.51 2.88 -9.29 2 4 0 61 251.326 6

Activity (Go SEA)

Rings

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