UCSF

ZINC37080867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.25 7.33 -126.59 4 2 2 32 242.366 4
Mid Mid (pH 6-8) 2.25 5.71 -47.46 3 2 1 31 241.358 4
Mid Mid (pH 6-8) 2.25 6.97 -32.69 3 2 1 30 241.358 4

Activity (Go SEA)

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