UCSF

ZINC44503699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.29 2.48 -76.45 3 5 0 82 235.287 3
Hi High (pH 8-9.5) 0.29 2.94 -82.06 4 5 1 83 236.295 3
Mid Mid (pH 6-8) 0.29 1.48 -47 4 5 1 79 236.295 3

Activity (Go SEA)

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