UCSF

ZINC44648251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.07 4.71 -45.42 3 5 1 62 249.338 5
Hi High (pH 8-9.5) 1.07 3.35 -9.99 2 5 0 57 248.33 5
Mid Mid (pH 6-8) 1.07 5.16 -86.82 4 5 2 63 250.346 5

Activity (Go SEA)

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